Consensus flow list

Identity

Type
Neutral molecule
CAS
953-17-3
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Carbophenothion-methyl

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string OUCCVXVYGFBXSV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H12ClO2PS3/c1-11-13(14,12-2)16-7-15-9-5-3-8(10)4-6-9/h3-6H,7H2,1-2H3
IUPAC name chemrof:IUPAC_name S-[[(p-Chlorophenyl)thio]methyl] O,O-dimethyl phosphorodithioate
Molecular formula chemrof:molecular_formula C9H12ClO2PS3
Molecular mass chemrof:molecular_mass 314.821
Monoisotopic mass chemrof:monoisotopic_mass 313.942557
SMILES string chemrof:smiles_string COP(=S)(OC)SCSc1ccc(Cl)cc1

Known URLs

7

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=953-17-3 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3040275 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=231692 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/X08H286BAN enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.188I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13721 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27293162 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
08af235d-6a37-4c47-9e16-a0cd4d958aa0 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4f02bf99-441d-436d-88e2-359d1829e44a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
96929329-c8c9-47d9-84a5-6231e39fcde3 Environmental → Air → Indoor EF 3.1 kg 2
4f7e4089-1f4a-404b-a4e1-6e15d48d0715 Environmental → Air → Long-term EF 3.1 kg 0
d8a3b287-ea6f-4541-b0ef-97d973b93083 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
c64055c3-9748-4c78-af4c-21f1ef19f661 Environmental → Air → Unknown EF 3.1 kg 2
dcfa5e02-e348-4c5b-9ddb-cc8010e84739 Environmental → Ground → Agricultural EF 3.1 kg 2
a2bc8a10-c377-4d92-913f-3be9217a4910 Environmental → Ground → Non-agricultural EF 3.1 kg 2
2b0456e4-fa07-4df5-b0ac-8e55f977b17d Environmental → Ground → Unknown EF 3.1 kg 2
7b09564c-8f23-4ee8-ab11-dca7978908b4 Environmental → Water → Long-term EF 3.1 kg 0
6afb33d5-81dd-447d-a07d-02efd4ddb5d5 Environmental → Water → Ocean EF 3.1 kg 2
c94e1b05-10fa-4586-9d06-88e64517c9cc Environmental → Water → Surface water EF 3.1 kg 2
5dff98fb-da1c-4a27-a21c-bcfa455e3994 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-d0bf83323120e108",
  "prefLabel": [
    {
      "@value": "Carbophenothion-methyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Carbophenothion methyl",
      "@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=953-17-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methyl carbophenothion",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=953-17-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methyl trithion",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphorodithioic acid, S-[[(4-chlorophenyl)thio]methyl] O,O-dimethyl ester",
      "@language": "en",
      "@lang": "en",
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        ],
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      }
    },
    {
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    },
    {
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    },
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