Methylene Bis[dibutyl(dithiocarbamate)]

Bis(di-n-butylthiocarbamoylthio)methane
Carbamic acid, dibutyldithio-, methylene ester
Carbamodithioic acid, dibutyl-, methylene ester
Carbamodithioic acid, N,N-dibutyl-, C,C′-methylene ester
Dibutylcarbamodithioic acid methylene ester
Methylene bis(di-N-butyldithiocarbamate)
Methylene bis(dibutyldithiocarbamate)
Methylene bis(N,N-dibutyldithiocarbamate)
Octopol MB

Property	Value
InChI2D key string chemrof:inchi2d_key_string	LMODBLQHQHXPEI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C19H38N2S4/c1-5-9-13-20(14-10-6-2)18(22)24-17-25-19(23)21(15-11-7-3)16-12-8-4/h5-17H2,1-4H3
IUPAC name chemrof:IUPAC_name	Methylene Bis[dibutyl(dithiocarbamate)]
Molecular formula chemrof:molecular_formula	C19H38N2S4
Molecular mass chemrof:molecular_mass	422.795
Monoisotopic mass chemrof:monoisotopic_mass	422.191783
SMILES string chemrof:smiles_string	CCCCN(CCCC)C(=S)SCSC(=S)N(CCCC)CCCC

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=10254-57-6	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.030.526	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID5029718	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8074XM58IX	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J157.833B	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/82496	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q27269121	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
1fea0a0f-cfed-4dd0-8b05-a6ad28b04bde	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
9fb7c5a5-0e0e-48d5-a8ef-ab359e2ae1a9	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
8712468c-d329-4c33-8429-a90f4769bc23	Environmental → Air → Indoor	EF 3.1	kg	4
dea4404f-2cc6-44c5-aef5-e4132e88c116	Environmental → Air → Long-term	EF 3.1	kg	0
c930311b-ebd6-49ce-bca4-b65436ea42ec	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
1d1f63ad-e0eb-4971-bd67-630d24de4bc3	Environmental → Air → Unknown	EF 3.1	kg	4
6427b8cf-9a0f-46a0-acbb-0408989fca79	Environmental → Ground → Agricultural	EF 3.1	kg	4
29009119-88e4-4b34-9ff7-5bc369cd61c2	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
95e38efd-e6ca-4392-bea8-487470eaab32	Environmental → Ground → Unknown	EF 3.1	kg	4
bd2d2841-570d-4f9c-9346-bd2ec6a9a6f0	Environmental → Water → Long-term	EF 3.1	kg	0
c8a06aa5-6eb1-406c-8b7c-c713adb263e8	Environmental → Water → Ocean	EF 3.1	kg	4
23200b65-f046-42a7-a5e0-4d20945db782	Environmental → Water → Surface water	EF 3.1	kg	4
fe58427b-2f88-4c86-ac25-47258cc13d50	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-08d21282c584a9cf",
  "prefLabel": [
    {
      "@value": "Methylene Bis[dibutyl(dithiocarbamate)]",
      "@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": "Bis(di-n-butylthiocarbamoylthio)methane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:10254-57-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=10254-57-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Carbamic acid, dibutyldithio-, methylene ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:10254-57-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=10254-57-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Carbamodithioic acid, dibutyl-, methylene ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:10254-57-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=10254-57-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Carbamodithioic acid, N,N-dibutyl-, C,C′-methylene ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:10254-57-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=10254-57-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dibutylcarbamodithioic acid methylene ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:10254-57-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=10254-57-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methylene bis(di-N-butyldithiocarbamate)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:10254-57-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=10254-57-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methylene bis(dibutyldithiocarbamate)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:10254-57-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=10254-57-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methylene bis(N,N-dibutyldithiocarbamate)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:10254-57-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=10254-57-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Octopol MB",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:10254-57-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=10254-57-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C19H38N2S4"
      ],
      "attested_by": {
        "C19H38N2S4": [
          "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:82496"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCN(CCCC)C(=S)SCSC(=S)N(CCCC)CCCC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "LMODBLQHQHXPEI-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "LMODBLQHQHXPEI-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:82496"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCN(CCCC)C(=S)SCSC(=S)N(CCCC)CCCC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCCCN(CCCC)C(=S)SCSC(=S)N(CCCC)CCCC"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Methylene Bis[dibutyl(dithiocarbamate)]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCN(CCCC)C(=S)SCSC(=S)N(CCCC)CCCC"
          ]
        }
      ],
      "attested_by": {
        "CCCCN(CCCC)C(=S)SCSC(=S)N(CCCC)CCCC": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C19H38N2S4/c1-5-9-13-20(14-10-6-2)18(22)24-17-25-19(23)21(15-11-7-3)16-12-8-4/h5-17H2,1-4H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Methylene Bis[dibutyl(dithiocarbamate)]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCN(CCCC)C(=S)SCSC(=S)N(CCCC)CCCC"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C19H38N2S4/c1-5-9-13-20(14-10-6-2)18(22)24-17-25-19(23)21(15-11-7-3)16-12-8-4/h5-17H2,1-4H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Methylene Bis[dibutyl(dithiocarbamate)]"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Methylene Bis[dibutyl(dithiocarbamate)]"
        ]
      },
      "attested_by": {
        "Methylene Bis[dibutyl(dithiocarbamate)]": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        422.795
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCN(CCCC)C(=S)SCSC(=S)N(CCCC)CCCC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCN(CCCC)C(=S)SCSC(=S)N(CCCC)CCCC"
          ]
        }
      ],
      "attested_by": {
        "422.795": [
          "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": [
        422.191783
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCN(CCCC)C(=S)SCSC(=S)N(CCCC)CCCC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCN(CCCC)C(=S)SCSC(=S)N(CCCC)CCCC"
          ]
        }
      ],
      "attested_by": {
        "422.191783": [
          "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=J157.833B",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:82496;CAS:10254-57-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[10254-57-6]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.030.526",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:82496;CAS:10254-57-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[10254-57-6]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=10254-57-6",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "10254-57-6"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID5029718",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:82496;CAS:10254-57-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[10254-57-6]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8074XM58IX",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:82496;CAS:10254-57-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[10254-57-6]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/82496",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:82496;CAS:10254-57-6"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[10254-57-6]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27269121",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:82496;CAS:10254-57-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[10254-57-6]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "1d1f63ad-e0eb-4971-bd67-630d24de4bc3",
    "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": [
        "10254-57-6"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=10254-57-6"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=10254-57-6"
        }
      ],
      "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": [
        "233-593-1"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=233-593-1"
      ],
      "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"
  ]
}

Methylene Bis[dibutyl(dithiocarbamate)]

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Keyboard