Consensus flow list

Isothioate

60e75c0a-1341-4307-972a-0bb0a2af7069

Identity

Substance
fo-42f5ff5aed049545 Neutral molecule
Source
EF 3.1
Unit
kg
Context
Environmental → Water → Surface water
CAS
36614-38-7
EC
—

Context

Dimension
Environmental
Media
Water
Water body
Surface water

Alternative labels

5

Source lists

2
List Version Source flow Name there Why this flow
EF 3.1 60e75c0a-1341-4307-972a-0bb0a2af7069 isothioate The consensus list is built from this one, so this row is the flow itself rather than something matched to it.
ecoinvent 3.12 9dc2d0a0-aa6b-5261-b7f7-1af5e2fcf9ea Isothioate A curator's mapping table (ecoinvent-3.11-biosphere-EF-3.1-biosphere) names this flow.

Concept associations

2
Source list Source flow Name there Compartment there Match Conversion
EF 3.1 60e75c0a-1341-4307-972a-0bb0a2af7069 isothioate Emissions/Emissions to water/Emissions to fresh water exactMatch —
ecoinvent 3.12 9dc2d0a0-aa6b-5261-b7f7-1af5e2fcf9ea Isothioate water / surface water exactMatch —

Characterisation factors

6

Every implementation that says anything about this flow. Published as is what this list did with the row: where more than one implementation states a number and they agree it publishes it as agreed; where only one speaks, as sole; where they disagree it publishes nothing and asks.

Method Implementation Category Place Factor Published as
EF 3.1 European Commission — JRC Ecotoxicity, freshwater — 7,204.5 —
EF 3.1 ecoinvent Centre Ecotoxicity, freshwater — 7,204.5 —
EF 3.1 consensus-flow-list Ecotoxicity, freshwater — 7,204.5 agreed
EF 3.1 European Commission — JRC Ecotoxicity, freshwater_organics — 7,204.5 —
EF 3.1 ecoinvent Centre Ecotoxicity, freshwater_organics — 7,204.5 —
EF 3.1 consensus-flow-list Ecotoxicity, freshwater_organics — 7,204.5 agreed

This flow in the difference report

History

The change log and the PROV-O trail (2 consensus changes)

Open the changes page

These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.

Full record

Flow JSON 
{
  "altLabel": [
    {
      "@value": "O,O-Dimethyl S-[2-(isopropylthio)ethyl] phosphorodithioate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:36614-38-7",
          "https://commonchemistry.cas.org/detail?cas_rn=36614-38-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "S-(2-Isopropylthioethyl) O,O-dimethyl phosphorodithioate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:36614-38-7",
          "https://commonchemistry.cas.org/detail?cas_rn=36614-38-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hosalon",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:36614-38-7",
          "https://commonchemistry.cas.org/detail?cas_rn=36614-38-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hosdon",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:36614-38-7",
          "https://commonchemistry.cas.org/detail?cas_rn=36614-38-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphorodithioic acid, O,O-dimethyl S-[2-[(1-methylethyl)thio]ethyl] ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:36614-38-7",
          "https://commonchemistry.cas.org/detail?cas_rn=36614-38-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C7H17O2PS3"
      ],
      "attested_by": {
        "C7H17O2PS3": [
          "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:37490"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COP(=S)(OC)SCCSC(C)C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "SPCNPOWOBZQWJK-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "SPCNPOWOBZQWJK-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:37490"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COP(=S)(OC)SCCSC(C)C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "COP(=S)(OC)SCCSC(C)C"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O,O-Dimethyl S-[2-(isopropylthio)ethyl] phosphorodithioate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COP(=S)(OC)SCCSC(C)C"
          ]
        }
      ],
      "attested_by": {
        "COP(=S)(OC)SCCSC(C)C": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C7H17O2PS3/c1-7(2)12-5-6-13-10(11,8-3)9-4/h7H,5-6H2,1-4H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O,O-Dimethyl S-[2-(isopropylthio)ethyl] phosphorodithioate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COP(=S)(OC)SCCSC(C)C"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C7H17O2PS3/c1-7(2)12-5-6-13-10(11,8-3)9-4/h7H,5-6H2,1-4H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "O,O-Dimethyl S-[2-(isopropylthio)ethyl] phosphorodithioate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "O,O-Dimethyl S-[2-(isopropylthio)ethyl] phosphorodithioate"
        ]
      },
      "attested_by": {
        "O,O-Dimethyl S-[2-(isopropylthio)ethyl] phosphorodithioate": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        260.386
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)SCCSP(=S)(OC)OC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COP(=S)(OC)SCCSC(C)C"
          ]
        }
      ],
      "attested_by": {
        "260.386": [
          "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": [
        260.012829
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)SCCSP(=S)(OC)OC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COP(=S)(OC)SCCSC(C)C"
          ]
        }
      ],
      "attested_by": {
        "260.012829": [
          "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=J3.812A",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:37490;CAS:36614-38-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[36614-38-7]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=36614-38-7",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:37490;CAS:36614-38-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[36614-38-7]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID9058070",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:37490;CAS:36614-38-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[36614-38-7]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/H1Z853CI1S",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:37490;CAS:36614-38-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[36614-38-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/37490",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:37490;CAS:36614-38-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[36614-38-7]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27279525",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:37490;CAS:36614-38-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[36614-38-7]"
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Isothioate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ],
  "http://www.w3.org/2004/02/skos/core#definition": [],
  "uuid": "60e75c0a-1341-4307-972a-0bb0a2af7069",
  "identifier": "60e75c0a-1341-4307-972a-0bb0a2af7069",
  "source": "EF 3.1",
  "cas_numbers": [
    "36614-38-7"
  ],
  "ec_numbers": [],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Surface water"
  },
  "synonyms": [],
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 7204.5
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 7204.5
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-suwa",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-42f5ff5aed049545",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/60e75c0a-1341-4307-972a-0bb0a2af7069",
        "skos:prefLabel": "isothioate",
        "context": "Emissions/Emissions to water/Emissions to fresh water",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/60e75c0a-1341-4307-972a-0bb0a2af7069"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/60e75c0a-1341-4307-972a-0bb0a2af7069"
      },
      "provenance": {
        "prov:wasGeneratedBy": "build_concept_associations",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
        ]
      }
    },
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ecoinvent/3.12/flow/9dc2d0a0-aa6b-5261-b7f7-1af5e2fcf9ea",
        "skos:prefLabel": "Isothioate",
        "context": "water / surface water",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/60e75c0a-1341-4307-972a-0bb0a2af7069"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/60e75c0a-1341-4307-972a-0bb0a2af7069"
      },
      "provenance": {
        "prov:wasGeneratedBy": "merge_ecoinvent",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent:3.12:9dc2d0a0-aa6b-5261-b7f7-1af5e2fcf9ea",
          "Isothioate",
          "ecoinvent-3.11-biosphere-EF-3.1-biosphere"
        ],
        "prov:wasDerivedFrom": "randonneur_replace_table:prepared_mapping"
      }
    }
  ],
  "_sources": {
    "prefLabel": "normalize_name_case",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "normalise_property_values",
    "skos_definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "dedupe_altlabels",
    "cas_match_labels": "consensus_match",
    "concept_associations": "carry_associations_onto_flows",
    "types": "link_flows_to_their_substance"
  },
  "cas_match_labels": {
    "36614-38-7": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "isothioate",
    "synonyms": [
      "AC1L1XU5",
      "Hodson",
      "Hosalon",
      "Hosdon",
      "Hosdon granule",
      "Isothioate [BSI:ISO]",
      "Isothionate",
      "O,O-Dimethyl S-((2-isopropylthio)ethyl) phosphorodithioate",
      "O,O-Dimethyl S-((2-isopropylthio)ethyl) phosphorodithioate (8CI)",
      "O,O-Dimethyl S-(2-((1-methylethyl)thio)ethyl) phosphorodithioate",
      "O,O-Dimethyl S-(2-((1-methylethyl)thio)ethyl) phosphorodithioate (9CI)",
      "O,O-Dimethyl-S-2-(isopropylthio)ethylphosphorodithioate",
      "Phosphorodithioic acid, O,O-dimethyl S-(2-((1-methylethyl)thio)ethyl) ester",
      "Phosphorodithioic acid, S-2-(isopropylthio)ethyl O,O-dimethyl ester",
      "S-2-Isopropylthioethyl O,O-dimethyl phosphorodithioate",
      "Z-7272",
      "dimethoxy-(2-propan-2-ylsulfanylethylsulfanyl)-sulfanylidene-"
    ],
    "context": [
      "Emissions",
      "Emissions to water",
      "Emissions to fresh water"
    ],
    "cas_numbers": [
      "36614-38-7"
    ],
    "ec_numbers": [],
    "unit": "kg"
  }
}

Keyboard

?
Show or hide this map
Esc
Close

More as the sections are built.