Consensus flow list

Identity

Type
NeutralMolecule
CAS
23564-06-9
EC
245-741-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Thiophanate

What it is used for

2

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
fungicide CHEBI:24127 A substance used to destroy fungal pests. 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

24

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string YFNCATAIYKQPOO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H18N4O4S2/c1-3-21-13(19)17-11(23)15-9-7-5-6-8-10(9)16-12(24)18-14(20)22-4-2/h5-8H,3-4H2,1-2H3,(H2,15,17,19,23)(H2,16,18,20,24)
IUPAC name chemrof:IUPAC_name 1,2-Bis(3-(ethoxycarbonyl)-2-thioureido)benzene
Molecular formula chemrof:molecular_formula C14H18N4O4S2
Molecular mass chemrof:molecular_mass 370.456
Monoisotopic mass chemrof:monoisotopic_mass 370.076947, 370.07695
SMILES string chemrof:smiles_string CCOC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OCC

Known URLs

17

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=23564-06-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82060 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.041.568 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3034531 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=170810 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2103777 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5Q0Y96D5I8 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0259024 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J20.160J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18918 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18918 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C76880 enrich_references.pubchem_identifier_url
pesticides pesticides:thiophanate enrich_references.chebi_xrefs
ppdb ppdb:2935 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3032792 enrich_references.pubchem_compound
reaxys reaxys:939969 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27155716 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
ae500b47-c832-4d44-b14f-9b6ef179f8da Environmental → Air → Aircraft cruise height EF 3.1 kg 2
3ef88048-51b0-4fd5-b5b3-e9701459116c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
d8b5965a-15ed-4739-b40a-237a446b2cc5 Environmental → Air → Indoor EF 3.1 kg 2
230fc085-6011-4a51-9413-556451cd8212 Environmental → Air → Long-term EF 3.1 kg 0
e56da491-ce8b-44b1-aa66-22281451c450 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
a4e1f614-63dd-41c6-adef-6991196e8b1e Environmental → Air → Unknown EF 3.1 kg 2
251a0152-708b-4e47-bd52-61605d91fa19 Environmental → Ground → Agricultural EF 3.1 kg 2
476ff6e3-b460-488f-aa85-bccca0367b58 Environmental → Ground → Non-agricultural EF 3.1 kg 2
255e750082d4423409df67c964dc4be26e60c49b Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
184e17ff-52c8-4fa8-addd-7ee8f0f86788 Environmental → Ground → Unknown EF 3.1 kg 2
0cd490f8-4313-4b53-b4d5-2480eef738e3 Environmental → Water → Long-term EF 3.1 kg 0
5d3009f2-7099-43fa-aa11-1704f4fb096e Environmental → Water → Ocean EF 3.1 kg 2
d9abcb3c-2f64-4c1f-a3bc-e1161a8b8e3b Environmental → Water → Surface water EF 3.1 kg 2
8eff0a1c-8be1-4db9-b498-d3858c7b81c4 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-fcea695cc2779ce4",
  "prefLabel": [
    {
      "@value": "Thiophanate",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1,2-Bis(3-ethoxycarbonyl-2-thioureido) benzene",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "1,2-Bis(3-ethoxycarbonyl-2-thioureido)benzene",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,2-Bis[3-(ethoxycarbonyl)thioureido]benzene",
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,2-Di-(3-ethoxycarbonyl-2-thioureido)benzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4,4'-o-Phenylenebis(ethyl 3-thioallophanate)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Allophanic acid, 4,4′-o-phenylenebis[3-thio-, diethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Carbamic acid, [1,2-phenylenebis(iminocarbonothioyl)]bis-, diethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Carbamic acid, N,N′-[1,2-phenylenebis(iminocarbonothioyl)]bis-, C,C′-diethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "diethyl (1,2-phenylenedicarbamothioyl)biscarbamate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Diethyl 4,4'-o-phenylenebis(3-thioallophanate)",
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      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "diethyl N,N'-[1,2-phenylenebis(azanediylcarbonothioyl)]dicarbamate",
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      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "diethyl N,N'-[1,2-phenylenebis(iminocarbonothioyl)]bis[carbamate]",
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      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Enovit",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethyl thiophanate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "MeSH ID: D013875",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Quali-Pro TM 85WDG",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Systec 1998WDG",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Thiofanate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Thiophanat",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Thiophanate ethyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Topsin",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Topsin E",
      "@language": "en",
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    },
    {
      "@value": "Topsin NF 35",
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  ],
  "properties": {
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