Consensus flow list

Identity

Type
Neutral molecule
CAS
3811-49-2
EC
223-292-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
69 across every transformer

Structure

Structure diagram for Salithion

Alternative labels

12

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string OUNSASXJZHBGAI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H9O3PS/c1-9-12(13)10-6-7-4-2-3-5-8(7)11-12/h2-5H,6H2,1H3
IUPAC name chemrof:IUPAC_name 2-methoxy-4h-1,3,2-benzodioxaphosphorin 2-sulphide, 2-methoxy-4H-1,3,2-benzodioxaphosphorin 2-sulphide
Molecular formula chemrof:molecular_formula C8H9O3PS
Molecular mass chemrof:molecular_mass 216.198
Monoisotopic mass chemrof:monoisotopic_mass 216.001, 216.001002
SMILES string chemrof:smiles_string COP1(=S)OCc2ccccc2O1

Known URLs

15

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=3811-49-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82120 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.021.176 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7041885 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL226967 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6ZWK96BZW6 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J26.478D enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.062G enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J367.636F enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J367.637D enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18981 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18981 enrich_references.pubchem_identifier_url
ppdb ppdb:1595 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/19657 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27155757 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
0be469ac-1441-4a5f-bb9e-94fe183a4ef3 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
e72b8398-b5c9-4fc4-8272-f129e2ebd564 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
11235eed-c6c5-4582-963e-573f0ff4d2d2 Environmental → Air → Indoor EF 3.1 kg 2
97095ab4-82cd-4533-9507-c3bd5fdb970e Environmental → Air → Long-term EF 3.1 kg 0
3cddb361-b8f4-40c0-94cb-af1e0328dc13 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
f270c199-0ffc-48cb-b8ea-ce2a7e48f00e Environmental → Air → Unknown EF 3.1 kg 2
9f4dd768-9267-4127-95a0-19643a370c81 Environmental → Ground → Agricultural EF 3.1 kg 2
8640641a-2a6e-4000-a141-f34dc4bddf8a Environmental → Ground → Non-agricultural EF 3.1 kg 2
4b3470c6d9dc86dc5299ae1c0376d1cdc2bf70f2 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
afa6e3db-706e-4868-8c15-64665c3ec6c5 Environmental → Ground → Unknown EF 3.1 kg 2
5e5231b8-e6e6-40a4-864f-ce8caaa8e59d Environmental → Water → Long-term EF 3.1 kg 0
bf81a5ac-8a9f-4035-a078-51d1c0c183ea Environmental → Water → Ocean EF 3.1 kg 2
e91020dc-bbeb-420e-9b21-d56de7d28555 Environmental → Water → Surface water EF 3.1 kg 2
7d7733c3-1096-4972-ade8-fc802950c8f9 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (69 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-29ba31090b7cd42b",
  "prefLabel": [
    {
      "@value": "Salithion",
      "@language": "en",
      "@lang": "en",
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Methoxy-2,4-dihydro-1,3,2λ5-benzodioxaphosphinine-2-thione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Methoxy-4H-1,3,2-benzodioxaphospholin-2-sulfide",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-methoxy-4h-1,3,2-benzodioxaphosphorin 2-sulphide",
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      }
    },
    {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "4H-1,3,2-Benzodioxaphosphorin, 2-methoxy-, 2-sulfide",
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    },
    {
      "@value": "Benzyl alcohol, o-hydroxy-, cyclic O,O-ester with O-methyl phosphorothioate",
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      }
    },
    {
      "@value": "Dioxabenzofos",
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    },
    {
      "@value": "Dioxabenzophos",
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    {
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    {
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    {
      "@value": "Phosphorothioic acid, O-methyl ester, cyclic O,O-ester with o-hydroxybenzyl alcohol",
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    },
    {
      "@value": "Saligenin cyclic methyl phosphorothionate",
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