Consensus flow list

Identity

Type
NeutralMolecule
CAS
2439-01-2
EC
219-455-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Chinomethionate

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
acaricide CHEBI:22153 A substance used to destroy pests of the subclass Acari (mites and ticks). ChEBI
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. 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

23

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string FBQQHUGEACOBDN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H6N2OS2/c1-5-2-3-6-7(4-5)12-9-8(11-6)14-10(13)15-9/h2-4H,1H3
IUPAC name chemrof:IUPAC_name 6-methyl[1,3]dithiolo[4,5-b]quinoxalin-2-one
Molecular formula chemrof:molecular_formula C10H6N2OS2
Molecular mass chemrof:molecular_mass 234.305
Monoisotopic mass chemrof:monoisotopic_mass 233.99215, 233.992155
SMILES string chemrof:smiles_string Cc1ccc2nc3sc(=O)sc3nc2c1

Known URLs

22

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
agr agr:IND84001481 enrich_references.chebi_xrefs
agr agr:IND84001482 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=2439-01-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34620 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.017.687 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2032342 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=379587 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1595865 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/888OQA249R enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.029E enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14514 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14514 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55000 enrich_references.pubchem_identifier_url
pesticides pesticides:chinomethionat enrich_references.chebi_xrefs
ppdb ppdb:127 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/17109 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3077 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/1009998 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/14505671 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/6658821 enrich_references.chebi_xrefs
reaxys reaxys:526833 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q1074415 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
3ac18c33-3775-4d9f-a2ef-3ab8e9cdbf2c Environmental → Air → Aircraft cruise height EF 3.1 kg 4
a563fe1c-f474-4c4c-ad8c-2957a12ac31c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
5357eaab-38a8-434e-a87f-d81f132fb585 Environmental → Air → Indoor EF 3.1 kg 4
316d9711-5353-4495-b456-f9f0b455be5d Environmental → Air → Long-term EF 3.1 kg 0
f6f7ea68-bfa6-4105-b21d-f90f20565463 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
456c265a-7ae2-45ec-93de-de97ecc263dc Environmental → Air → Unknown EF 3.1 kg 4
03c7d546-b13d-4c7b-bede-60a248583e65 Environmental → Ground → Agricultural EF 3.1 kg 4
91680c5c-31f0-4092-8305-174da70e4d2c Environmental → Ground → Non-agricultural EF 3.1 kg 4
c224f8e7ea6e6f54723cdb9679c8fdada622f8e2 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
129bc977-f582-4096-bf33-dafa7ef4ef77 Environmental → Ground → Unknown EF 3.1 kg 4
95df9581-0f57-4c3c-a917-5f18042c6b20 Environmental → Water → Long-term EF 3.1 kg 0
8e7243fc-b910-41d7-a258-3a611f2b1e37 Environmental → Water → Ocean EF 3.1 kg 4
07d67995-7cbb-4f97-96b8-94da8d17a5b1 Environmental → Water → Surface water EF 3.1 kg 4
c608f61c-5f0e-4c3e-97ab-b7a3a3edbcff 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-dfb54be6f5ee17c9",
  "prefLabel": [
    {
      "@value": "Chinomethionate",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Dithiolo[4,5-b]quinoxalin-2-one, 6-methyl-",
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      "@lang": "en",
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        ],
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      }
    },
    {
      "@value": "6-Methyl-1,3-dithiolo[4,5-b]quinoxalin-2-one",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "6-methyl-2,3-quinoxalinedithiol cyclic dithiocarbonate",
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      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "6-Methyl-2,3-quinoxalinedithiol cyclic S,S-dithiocarbonate",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "6-Methyl-2-oxo-1,3-dithio[4,5-b]quinoxaline",
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    },
    {
      "@value": "6-methyl[1,3]dithiolo[4,5-b]quinoxalin-2-one",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "6-Methylquinoxalin-2,3-dithiol-2,3-carbonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "BFL-K 01",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Carbonic acid, dithio-, cyclic S,S-(6-methyl-2,3-quinoxalinediyl) ester",
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      "@lang": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Carbonic acid, dithio-, cyclic S,S-ester with 6-methyl-2,3-quinoxalinedithiol",
      "@language": "en",
      "@lang": "en",
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        ],
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      }
    },
    {
      "@value": "Cetactaelate",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Chinomethionat",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "Daisonet XL 21",
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        ],
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      }
    },
    {
      "@value": "Daisonet XL 21S",
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      }
    },
    {
      "@value": "Forstan",
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    },
    {
      "@value": "Morestan",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Morestan 2",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Morestane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "MQD",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "oxythioquinox",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Oxythroquinox",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Quinomethionate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "S,S-(6-methylquinoxaline-2,3-diyl) dithiocarbonate",
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      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C10H6N2OS2"
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