Consensus flow list

Identity

Type
NeutralMolecule
CAS
3347-22-6
EC
222-098-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Dithianon

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
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

22

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string PYZSVQVRHDXQSL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H
IUPAC name chemrof:IUPAC_name Dithianon
Molecular formula chemrof:molecular_formula C14H4N2O2S2
Molecular mass chemrof:molecular_mass 296.332
Monoisotopic mass chemrof:monoisotopic_mass 295.971419, 295.97142
SMILES string chemrof:smiles_string N#Cc1sc2c(=O)c3ccccc3c(=O)c=2sc1C#N

Known URLs

24

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=3347-22-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81842 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.020.090 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8040270 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=218452 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2228641 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3ESS44NI1F enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0031780 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.516K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18574 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18574 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45093 enrich_references.pubchem_identifier_url
patent patent:US2976296 enrich_references.chebi_xrefs
pesticides pesticides:dithianon enrich_references.chebi_xrefs
ppdb ppdb:258 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/18771 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/10454242 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15092966 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15327854 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19130372 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23165602 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9065825 enrich_references.chebi_xrefs
reaxys reaxys:1325563 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q1230269 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
9514ee74-bbc2-46cf-a6be-17bc32f17b97 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
b16a65b2-0806-4092-a954-ea56320ce2d6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
47023794-5d60-414e-97e3-c5849eee797b Environmental → Air → Indoor EF 3.1 kg 4
4968500a-0b00-4f8d-9887-d4620950c23b Environmental → Air → Long-term EF 3.1 kg 0
0b9f2c47-73b3-4ed3-8ffb-3c8f5c9592ec Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
6e3100e6-c937-4501-804d-2e14a4e3e9de Environmental → Air → Unknown EF 3.1 kg 4
904ce552-a7dd-4a9f-8770-dbe0f587051f Environmental → Ground → Agricultural EF 3.1 kg 4
230bc6da-86e4-44de-ade2-858fd169766f Environmental → Ground → Non-agricultural EF 3.1 kg 4
e43514fc946c2842c3c153dc09dcdfba988a2afa Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
ff6bac1e-bbac-40c0-9b07-fb8fd5d82c67 Environmental → Ground → Unknown EF 3.1 kg 4
fd0886ff-0c37-4762-b40b-320a9f61e372 Environmental → Water → Long-term EF 3.1 kg 0
e2ca7c79-5e10-4151-b67b-3b21025aebc1 Environmental → Water → Ocean EF 3.1 kg 4
9adb50e2-6c6e-4558-8d4b-e6dc49e0d0c9 Environmental → Water → Surface water EF 3.1 kg 4
b83d31ee-e4b8-47d2-941b-bb8672eeb6ff 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-7c713f4d03f64926",
  "prefLabel": [
    {
      "@value": "Dithianon",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,4-Dithiaanthraquinone-2,3-dicarbonitrile",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,4-dithiaanthraquinone-2,3-dinitrile",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,3-Dicarbonitrilo-1,4-diathiaanthrachinon",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,3-dicyano-1,4-dithia-anthraquinone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,3-Dicyano-1,4-dithiaanthraquinone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,3-dinitrilo-1,4-dithia-9,10-anthraquinone",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "2,3-dinitrilo-1,4-dithia-anthraquinone",
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      "provenance": {
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      }
    },
    {
      "@value": "2,3-Dinitrilo-1,4-dithiaanthraquinone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5,10-dihydro-5,10-dioxonaphtho[2,3-b]-1,4-dithiin-2,3-dicarbonitrile",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiin-2,3-dicarbonitrile",
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      "provenance": {
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    },
    {
      "@value": "Delan",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "Delan (fungicide)",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Delan 700WG",
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        ],
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      }
    },
    {
      "@value": "Delan 75SC",
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        ],
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      }
    },
    {
      "@value": "Delan WG",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Delan WP",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Delan-Col",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "dithianone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Naphtho[2,3-b]-1,4-dithiin-2,3-dicarbonitrile, 5,10-dihydro-5,10-dioxo-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Naphtho[2,3-b]-p-dithiin-2,3-dicarbonitrile, 5,10-dihydro-5,10-dioxo-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Stauffer MV 119A",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Thynon",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C14H4N2O2S2"
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    "https://w3id.org/chemrof/inchi2d_string": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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