Consensus flow list

Identity

Type
Neutral molecule
CAS
1112-38-5
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
52 across every transformer

Structure

Structure diagram for Dimethylthiophosphate

Alternative labels

12

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string WWJJVKAEQGGYHJ-UHFFFAOYSA-M, WWJJVKAEQGGYHJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C2H7O3PS/c1-4-6(3,7)5-2/h1-2H3,(H,3,7)/p-1
IUPAC name chemrof:IUPAC_name Dimethylthiophosphate
Molecular formula chemrof:molecular_formula C2H6O3PS-, C2H7O3PS
Molecular mass chemrof:molecular_mass 141.108, 142.116
Monoisotopic mass chemrof:monoisotopic_mass 140.978075, 141.985352
SMILES string chemrof:smiles_string COP([O-])(=S)OC

Known URLs

9

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=1112-38-5 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID10858736 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB04687 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6KM8HRE9WB enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0061735 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J291.062D enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=149120 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/168140 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27095433 enrich_references.pubchem_identifier_url

Elementary flows

12
Flow Context Source Unit CFs
172b2807-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
fe0acd60-3ddc-11dd-a5ae-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
fe0acd60-3ddc-11dd-a5ad-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a5af-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
fe0acd60-3ddc-11dd-a5ac-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 0
fe0acd60-3ddc-11dd-a5aa-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 0
08a91e70-3ddc-11dd-94c1-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 0
fe0acd60-3ddc-11dd-a5ab-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 0
fe0acd60-3ddc-11dd-a5b1-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-94c2-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 0
fe0acd60-3ddc-11dd-a5b0-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 0
fe0acd60-3ddc-11dd-a5b2-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (52 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-6de29c92b4d40c8d",
  "prefLabel": [
    {
      "@value": "Dimethylthiophosphate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Dimethyl phosphorothioate",
      "@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=1112-38-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dimethyl phosphorothionate",
      "@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=1112-38-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dimethyl phosphothionate",
      "@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=1112-38-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DMPT",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methyl phosphorothioate ((MeO)2HPOS)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "O,O-Dimethyl hydrogen phosphorothioate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "O,O-Dimethyl phosphorothioate",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "O,O-Dimethyl phosphorothioic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "O,O-Dimethyl phosphorothionate",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "O,O-Dimethyl S-hydrogen phosphorothioic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "O,O-Dimethyl thiophosphate",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Phosphorothioic acid, O,O-dimethyl ester",
      "@language": "en",
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  "properties": {
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        ],
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      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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    "https://w3id.org/chemrof/inchi2d_key_string": {
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      ],
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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  "parent_flow_object_id": null,
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  "@type": [
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  ]
}

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