Consensus flow list

Identity

Type
Neutral molecule
CAS
2524-04-1
EC
219-755-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for O,o-diethyl Chlorothiophosphate

Alternative labels

25

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KMJJJTCKNZYTEY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H10ClO2PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3
IUPAC name chemrof:IUPAC_name O,O-Diethyl chlorophosphorothioate
Molecular formula chemrof:molecular_formula C4H10ClO2PS
Molecular mass chemrof:molecular_mass 188.616
Monoisotopic mass chemrof:monoisotopic_mass 187.982765
SMILES string chemrof:smiles_string CCOP(=S)(Cl)OCC

Known URLs

11

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=2524-04-1 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.017.960 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0448 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5027487 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=43776 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184078 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/A310QMF5Q0 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J34.649G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/17305 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2751 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q1223252 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
b6bf9d93-1505-4017-bfa2-1e67cb7f49a3 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
6f864cb7-7ce5-451f-a162-288a11f5b63b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
a204dda8-4e35-4026-b210-72c063483f18 Environmental → Air → Indoor EF 3.1 kg 2
125c06e6-c51c-4940-a22a-566bc6b1e5c1 Environmental → Air → Long-term EF 3.1 kg 0
92d4a01b-c9e0-428e-a480-0340d3854e95 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
63e07b8c-9b06-4bb5-8de6-e08a83c57f48 Environmental → Air → Unknown EF 3.1 kg 2
767ed504-6fb0-4bdd-95ba-9250206fcf6e Environmental → Ground → Agricultural EF 3.1 kg 2
807b65e0-7053-4f09-8e92-29b773d819ad Environmental → Ground → Non-agricultural EF 3.1 kg 2
e87df10e-d032-4f2e-8aaa-b1bac9428a24 Environmental → Ground → Unknown EF 3.1 kg 2
f2ed02fc-1492-4f73-af48-eef4800be4b0 Environmental → Water → Long-term EF 3.1 kg 0
f7f1d2f4-3869-47e1-a7b3-444ae668064f Environmental → Water → Ocean EF 3.1 kg 2
7baf748b-8d6a-420b-a899-34787b7283a8 Environmental → Water → Surface water EF 3.1 kg 2
26bcd554-6fd9-4ce9-81eb-4df7b37b6506 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-f58d6684c2d77b1a",
  "prefLabel": [
    {
      "@value": "O,o-diethyl Chlorothiophosphate",
      "@language": "en",
      "@lang": "en",
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(Chlorodiethoxy)phosphine sulfide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2524-04-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diethoxythiophosphoryl chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "https://commonchemistry.cas.org/detail?cas_rn=2524-04-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diethyl chlorothiophosphate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2524-04-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diethyl phosphorochloridothioate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diethyl phosphorochlorothioate",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diethyl phosphorothiochloridate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diethyl phosphorothionochloridate",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diethyl thiophosphoryl chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=2524-04-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethyl phosphorochloridothioate ((EtO)2ClPS)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "O,O-Diethyl chloridophosphorothioate",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "O,O-Diethyl chloridothionophosphate",
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      }
    },
    {
      "@value": "O,O-Diethyl chlorophosphorothioate",
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      }
    },
    {
      "@value": "O,O-Diethyl chlorothionophosphate",
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        ],
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      }
    },
    {
      "@value": "O,O-Diethyl chlorothiophosphonate",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "O,O-Diethyl phosphorochloridothioate",
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      "provenance": {
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      }
    },
    {
      "@value": "O,O-Diethyl phosphorochlorothioate",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "O,O-Diethyl phosphorothiochloridate",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "O,O-Diethyl phosphorothionochloridate",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "O,O-Diethyl thionophosphoric chloride",
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      }
    },
    {
      "@value": "O,O-Diethyl thionophosphorochloridate",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "O,O-Diethyl thionophosphoryl chloride",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "O,O-Diethyl thiophosphoric acid chloride",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "O,O-Diethyl thiophosphorochloridate",
      "@language": "en",
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      "provenance": {
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        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=2524-04-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "O,O-Diethyl thiophosphoryl chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2524-04-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphorochloridothioic acid, O,O-diethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C4H10ClO2PS"
      ],
      "attested_by": {
        "C4H10ClO2PS": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
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          "prov:hadPrimarySource": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOP(=S)(Cl)OCC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "KMJJJTCKNZYTEY-UHFFFAOYSA-N"
      ],
      "attested_by": {
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      "rdfs:label": "InChIKey",
      "provenance": [
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        {
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          "prov:hadPrimarySource": [
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        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCOP(=S)(Cl)OCC"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
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        {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C4H10ClO2PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3"
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "O,O-Diethyl chlorophosphorothioate"
      ],
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      },
      "attested_by": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
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          "prov:hadPrimarySource": [
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        },
        {
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        }
      ],
      "attested_by": {
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        ]
      },
      "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": [
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      ],
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