Consensus flow list

Identity

Type
Neutral molecule
CAS
17321-47-0
EC
241-342-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for O,o-dimethyl Phosphoramidothioate

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string NKYPKIVMIGIWOB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C2H8NO2PS/c1-4-6(3,7)5-2/h1-2H3,(H2,3,7)
IUPAC name chemrof:IUPAC_name Phosphoramidothioic acid, O,O-dimethyl ester
Molecular formula chemrof:molecular_formula C2H8NO2PS
Molecular mass chemrof:molecular_mass 141.132
Monoisotopic mass chemrof:monoisotopic_mass 141.001336
SMILES string chemrof:smiles_string COP(N)(=S)OC

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=17321-47-0 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.037.568 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4027789 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=133028 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0G0F1572S2 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J287.005C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/87048 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27236724 enrich_references.pubchem_identifier_url

Elementary flows

12
Flow Context Source Unit CFs
3e4c8d42-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
08a91e70-3ddc-11dd-9728-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
08a91e70-3ddc-11dd-9727-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9729-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
08a91e70-3ddc-11dd-9726-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 0
08a91e70-3ddc-11dd-9724-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 0
08a91e70-3ddc-11dd-972d-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 0
08a91e70-3ddc-11dd-9725-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 0
08a91e70-3ddc-11dd-972b-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-972e-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 0
08a91e70-3ddc-11dd-972a-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 0
08a91e70-3ddc-11dd-972c-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-85795e668ce67a6f",
  "prefLabel": [
    {
      "@value": "O,o-dimethyl Phosphoramidothioate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "[Amino(methoxy)phosphinothioyl]oxymethane",
      "@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=17321-47-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Amidate (pesticide)",
      "@language": "en",
      "@lang": "en",
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "O,O-Dimethyl thiophosphoramide",
      "@language": "en",
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      }
    },
    {
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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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"
    }
  },
  "references": [
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  "created_from": {
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}

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