Consensus flow list

Identity

Type
NeutralMolecule
CAS
971-15-3
EC
213-537-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Hexasulfane-1,6-diylbis(piperidin-1-ylmethanethione)

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HPFHYRNETZEPIV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H20N2S8/c15-11(13-7-3-1-4-8-13)17-19-21-22-20-18-12(16)14-9-5-2-6-10-14/h1-10H2
IUPAC name chemrof:IUPAC_name Hexasulfane-1,6-diylbis(piperidin-1-ylmethanethione)
Molecular formula chemrof:molecular_formula C12H20N2S8
Molecular mass chemrof:molecular_mass 448.842
Monoisotopic mass chemrof:monoisotopic_mass 447.939217
SMILES string chemrof:smiles_string S=C(SSSSSSC(=S)N1CCCCC1)N1CCCCC1

Known URLs

8

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=971-15-3 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.012.307 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4020535 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3187085 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ESX7OZN94X enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J34.436B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/70414 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27277346 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
24470a47-5864-4a06-afa4-c17ed9e3d3c3 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
9814e448-ea74-49e5-a541-3d18150d541d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
ed6d3a06-05c3-4f59-9ec7-5511e00ea33a Environmental → Air → Indoor EF 3.1 kg 4
8e40f597-c230-4989-88ca-a4a2a3856053 Environmental → Air → Long-term EF 3.1 kg 0
719f9e45-539c-44a4-b8b2-625fc08be77d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
f43ef04d-2e1c-4903-9391-5db4e1eb930c Environmental → Air → Unknown EF 3.1 kg 4
fdcfb0e1-7822-4410-a881-879f9061e267 Environmental → Ground → Agricultural EF 3.1 kg 4
00afc753-3058-41a2-8546-037791de7b8f Environmental → Ground → Non-agricultural EF 3.1 kg 4
56ac1a35-3bb0-4e27-a92e-c43670b1753e Environmental → Ground → Unknown EF 3.1 kg 4
1d8cba9a-c671-444b-b123-fb5661529515 Environmental → Water → Long-term EF 3.1 kg 0
97ce552e-b619-47ef-a99a-4ad6eb492db7 Environmental → Water → Ocean EF 3.1 kg 4
435ba7db-6cc3-46f9-b637-e4e61ee85c01 Environmental → Water → Surface water EF 3.1 kg 4
7118040e-39b0-4831-8440-0fd6dbc4293d Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-7642cb035b371ba1",
  "prefLabel": [
    {
      "@value": "Hexasulfane-1,6-diylbis(piperidin-1-ylmethanethione)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Altermix DPTT 70GE",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:971-15-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=971-15-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bis(1-piperidinylthioxomethyl) hexasulfide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:971-15-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=971-15-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bis(pentamethylene thiuram) hexasulfide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:971-15-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=971-15-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dipentamethylenethiuram hexasulfide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:971-15-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=971-15-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DPTT 70GE",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:971-15-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=971-15-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hexasulfide, bis(1-piperidinylthioxomethyl)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:971-15-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=971-15-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hexasulfide, bis(piperidinothiocarbonyl)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:971-15-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=971-15-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Piperidine, 1,1′-(hexathiodicarbonothioyl)bis-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:971-15-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=971-15-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Robac P 25",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:971-15-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=971-15-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C12H20N2S8"
      ],
      "attested_by": {
        "C12H20N2S8": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:70414"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "S=C(SSSSSSC(=S)N1CCCCC1)N1CCCCC1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "HPFHYRNETZEPIV-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "HPFHYRNETZEPIV-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:70414"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "S=C(SSSSSSC(=S)N1CCCCC1)N1CCCCC1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "S=C(SSSSSSC(=S)N1CCCCC1)N1CCCCC1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Hexasulfane-1,6-diylbis(piperidin-1-ylmethanethione)"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "S=C(SSSSSSC(=S)N1CCCCC1)N1CCCCC1"
          ]
        }
      ],
      "attested_by": {
        "S=C(SSSSSSC(=S)N1CCCCC1)N1CCCCC1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C12H20N2S8/c15-11(13-7-3-1-4-8-13)17-19-21-22-20-18-12(16)14-9-5-2-6-10-14/h1-10H2"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Hexasulfane-1,6-diylbis(piperidin-1-ylmethanethione)"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "S=C(SSSSSSC(=S)N1CCCCC1)N1CCCCC1"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C12H20N2S8/c15-11(13-7-3-1-4-8-13)17-19-21-22-20-18-12(16)14-9-5-2-6-10-14/h1-10H2": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Hexasulfane-1,6-diylbis(piperidin-1-ylmethanethione)"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Hexasulfane-1,6-diylbis(piperidin-1-ylmethanethione)"
        ]
      },
      "attested_by": {
        "Hexasulfane-1,6-diylbis(piperidin-1-ylmethanethione)": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        448.842
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1CCN(CC1)C(=S)SSSSSSC(=S)N2CCCCC2"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "S=C(SSSSSSC(=S)N1CCCCC1)N1CCCCC1"
          ]
        }
      ],
      "attested_by": {
        "448.842": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        447.939217
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1CCN(CC1)C(=S)SSSSSSC(=S)N2CCCCC2"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "S=C(SSSSSSC(=S)N1CCCCC1)N1CCCCC1"
          ]
        }
      ],
      "attested_by": {
        "447.939217": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J34.436B",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70414;CAS:971-15-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[971-15-3]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.012.307",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70414;CAS:971-15-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[971-15-3]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=971-15-3",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "971-15-3"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID4020535",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70414;CAS:971-15-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[971-15-3]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ESX7OZN94X",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70414;CAS:971-15-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[971-15-3]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/70414",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70414;CAS:971-15-3"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[971-15-3]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3187085",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70414;CAS:971-15-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[971-15-3]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27277346",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70414;CAS:971-15-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[971-15-3]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "00afc753-3058-41a2-8546-037791de7b8f",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "971-15-3"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=971-15-3"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=971-15-3"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "213-537-2"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=213-537-2"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

Keyboard

?
Show or hide this map
Esc
Close

More as the sections are built.