Consensus flow list

Identity

Type
Neutral molecule
CAS
945-51-7
EC
213-415-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Diphenyl sulfoxide

Alternative labels

7

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string JJHHIJFTHRNPIK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H10OS/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
IUPAC name chemrof:IUPAC_name Diphenyl sulfoxide
Molecular formula chemrof:molecular_formula C12H10OS
Molecular mass chemrof:molecular_mass 202.278
Monoisotopic mass chemrof:monoisotopic_mass 202.045236, 202.04524
SMILES string chemrof:smiles_string O=S(c1ccccc1)c1ccccc1

Known URLs

13

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=945-51-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:177532 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.012.196 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.13090.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0022141 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=630195 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6779 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL336123 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4V290005U9 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.183H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13679 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=005735 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27260538 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
6ce54dd3-c2c5-43a6-a86a-2dc7749319c8 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
890dcda6-24e3-4fed-a0e4-835589bc4770 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c9cb12b3-0edb-40ed-a14b-a0ae83cf3d3d Environmental → Air → Indoor EF 3.1 kg 2
6d89a560-d13c-4fcb-b2bb-b8f20dab0c5f Environmental → Air → Long-term EF 3.1 kg 0
8509f042-b314-4221-b252-bd74577682d4 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
d0eda498-b9bc-4215-86c8-c9d4d7134214 Environmental → Air → Unknown EF 3.1 kg 2
834346cb-2eb9-44a4-9c9e-c6121bef0cc0 Environmental → Ground → Agricultural EF 3.1 kg 2
d8f50c77-639b-431e-845d-c05690bfb19f Environmental → Ground → Non-agricultural EF 3.1 kg 2
9fb5f2fc-9a59-4c4d-9c74-14279e5512c5 Environmental → Ground → Unknown EF 3.1 kg 2
198bd14e-eedd-4f96-9345-b164e718b12e Environmental → Water → Long-term EF 3.1 kg 0
dee9d5f0-b048-4a45-883d-c27cf965e7db Environmental → Water → Ocean EF 3.1 kg 2
e3ff092b-a4ad-4188-b68e-a9e5bb3e3b0b Environmental → Water → Surface water EF 3.1 kg 2
368edcfb-20a8-4144-85d4-05a5b6a1310f Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON
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        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "945-51-7"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=945-51-7"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=945-51-7"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "213-415-9"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=213-415-9"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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