Consensus flow list

Identity

Type
NeutralMolecule
CAS
563-12-2
EC
209-242-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Ethion

What it is used for

5

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
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. 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

21

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string RIZMRRKBZQXFOY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3
IUPAC name chemrof:IUPAC_name Bis(S-(diethoxyphosphinothioyl)mercapto)methane
Molecular formula chemrof:molecular_formula C9H22O4P2S4
Molecular mass chemrof:molecular_mass 384.487
Monoisotopic mass chemrof:monoisotopic_mass 383.987616, 383.98762
SMILES string chemrof:smiles_string CCOP(=S)(OCC)SCSP(=S)(OCC)OCC

Known URLs

25

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=563-12-2 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/TE456D70.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38663 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.008.403 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0888 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2024086 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1713417 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2TI07NO12Y enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0252018 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.297B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18725 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18725 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55957 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C163655 enrich_references.pubchem_identifier_url
ppdb ppdb:276 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3286 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3018 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/21366965 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21560835 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23127602 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24398360 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24401442 enrich_references.chebi_xrefs
reaxys reaxys:1804530 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q414724 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Ethion enrich_references.chebi_xrefs

Elementary flows

14
Flow Context Source Unit CFs
0d7a3ad4-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
08a91e70-3ddc-11dd-9352-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
477d2afc-af4b-4090-8a71-3e35f98a37ab Environmental → Air → Indoor EF 3.1 kg 4
08a91e70-3ddc-11dd-9351-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9353-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
08a91e70-3ddc-11dd-9350-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-a451-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-9357-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
7b679378abd4da91ade8790c9912fa2cb38e0818 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-a452-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-9355-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9358-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
08a91e70-3ddc-11dd-9354-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
08a91e70-3ddc-11dd-9356-0050c2490048 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-9a8a0f2761d3d509",
  "prefLabel": [
    {
      "@value": "Ethion",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Bis(S-(diethoxyphosphinothioyl)mercapto)methane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Diethion",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "ENT 24,105",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethopaz",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethyl methylene phosphorodithioate ([(EtO)2P(S)S]2CH2)",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Fosfatox E",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "Hylemax",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hylemox",
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      "provenance": {
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    },
    {
      "@value": "Nialate",
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    },
    {
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    },
    {
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    {
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    },
    {
      "@value": "Phosphorodithioic acid, SP,SP′-methylene OP,OP,OP′,OP′-tetraethyl ester",
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    },
    {
      "@value": "Phosphotox E",
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          "https://commonchemistry.cas.org/detail?cas_rn=563-12-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Rhodocide",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Rodocid",
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      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "Rodocide",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "S,S'-Methylene bis(O,O-diethyl phosphorodithioate)",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Tetraethyl S,S′-methylene bis(phosphorothiolothionate)",
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      "@lang": "en",
      "provenance": {
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  ],
  "properties": {
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