Consensus flow list

Identity

Type
NeutralMolecule
CAS
2636-26-2
EC
220-130-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Cyanophos

What it is used for

3

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
insecticide CHEBI:24852 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

17

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string SCKHCCSZFPSHGR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H10NO3PS/c1-11-14(15,12-2)13-9-5-3-8(7-10)4-6-9/h3-6H,1-2H3
IUPAC name chemrof:IUPAC_name 4-(Dimethoxyphosphinothioyloxy)benzonitrile
Molecular formula chemrof:molecular_formula C9H10NO3PS
Molecular mass chemrof:molecular_mass 243.224
Monoisotopic mass chemrof:monoisotopic_mass 243.0119, 243.011901
SMILES string chemrof:smiles_string COP(=S)(OC)Oc1ccc(C#N)cc1

Known URLs

18

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
beilstein beilstein:2695901 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=2636-26-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38621 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.018.301 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0041806 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2271089 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2AB0Z99OXP enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0250614 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.394D enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18397 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18397 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55939 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C163644 enrich_references.pubchem_identifier_url
ppdb ppdb:1023 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/17522 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3018 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q1147014 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Cyanophos enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
212a885a-9c13-47c0-8e7a-9e0c4f6d8e82 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
19408fd0-1333-4739-bccc-5404b49c3d73 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
e5a164d6-2eba-4471-a139-531b492ef8f7 Environmental → Air → Indoor EF 3.1 kg 4
1353c2c6-cbf0-4e58-ad23-e75aaaecb7aa Environmental → Air → Long-term EF 3.1 kg 0
bf257b73-2452-4476-a277-b294cbaabe4b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
67178e79-709b-4ce4-b5a3-e285cfc6f484 Environmental → Air → Unknown EF 3.1 kg 4
b7b6aea4-34ac-4d75-8faa-da6ceff16654 Environmental → Ground → Agricultural EF 3.1 kg 4
b3b5dc0d-add6-4e24-a089-49b2d737d5da Environmental → Ground → Non-agricultural EF 3.1 kg 4
cd223733e6f8b25e33fac4124d7d09b25e788bde Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
b01a326a-adc4-4617-b5ea-12daa36f6f6f Environmental → Ground → Unknown EF 3.1 kg 4
91b525b6-8599-43a1-917f-94507a1aea40 Environmental → Water → Long-term EF 3.1 kg 0
7946f805-c82d-443a-9d1c-7b54ae1432b3 Environmental → Water → Ocean EF 3.1 kg 4
9cd6a122-3b99-41b8-9b2c-bd7496a8b93a Environmental → Water → Surface water EF 3.1 kg 4
fe67846e-a655-4d76-839e-0f49a5f3ad6f Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-4bbbb8f3f6f575a2",
  "prefLabel": [
    {
      "@value": "Cyanophos",
      "@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": "4-(Dimethoxyphosphinothioyloxy)benzonitrile",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Ciafos",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Cyanofos",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyanox",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "CYAP",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Falcolan",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "O,O-Dimethyl O-(4-cyanophenyl) phosphorothioate",
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      }
    },
    {
      "@value": "O,O-Dimethyl O-(4-cyanophenyl) thionophosphate",
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    },
    {
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    {
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    {
      "@value": "O-(4-cyanophenyl) O,O-dimethyl thiophosphate",
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    },
    {
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      }
    },
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      }
    },
    {
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      }
    },
    {
      "@value": "Phosphorothioic acid, O-p-cyanophenyl O,O-dimethyl ester",
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    },
    {
      "@value": "Sumitomo S 4084",
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      }
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  ],
  "properties": {
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      "@value": [
        "C9H10NO3PS"
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      "attested_by": {
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      },
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    },
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      "rdfs:label": "SMILES",
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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    },
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      "attested_by": {
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