Consensus flow list

Identity

Type
Neutral molecule
CAS
621-08-9
EC
210-668-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Dibenzyl Sulphoxide

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HTMQZWFSTJVJEQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H14OS/c15-16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2
IUPAC name chemrof:IUPAC_name Dibenzyl Sulphoxide
Molecular formula chemrof:molecular_formula C14H14OS
Molecular mass chemrof:molecular_mass 230.332
Monoisotopic mass chemrof:monoisotopic_mass 230.076536
SMILES string chemrof:smiles_string O=S(Cc1ccccc1)Cc1ccccc1

Known URLs

9

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=621-08-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.700 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8022088 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=55 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL190496 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/554PDF1275 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J6.830F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/12116 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q5805477 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
15150ec6-a18f-47e9-b55a-8c38be6ee0e9 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
6a571aa5-6dda-4622-b1ae-c2ef8934d86c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
3a1915ee-065f-4743-a2aa-e7e418a616bd Environmental → Air → Indoor EF 3.1 kg 2
ee6be721-b125-4520-b62c-10609edd1163 Environmental → Air → Long-term EF 3.1 kg 0
ebac1794-d4ef-4f2f-9975-bb4f7d47ce05 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
be746ef0-fd59-42e2-beda-436d8c4324d6 Environmental → Air → Unknown EF 3.1 kg 2
8cd3144a-9889-4124-9c06-123c4729c21a Environmental → Ground → Agricultural EF 3.1 kg 2
c24768cc-6442-4b3e-8716-33f14bc4c92a Environmental → Ground → Non-agricultural EF 3.1 kg 2
51a075ef-0a34-4fe6-b06e-f59e1ae6ebd9 Environmental → Ground → Unknown EF 3.1 kg 2
71192f02-f9d3-4943-92b4-9eddae064e32 Environmental → Water → Long-term EF 3.1 kg 0
1b861459-0fb1-4a86-8140-c74e1a182121 Environmental → Water → Ocean EF 3.1 kg 2
bb1d9797-e31d-4396-817e-2dc6fb97afa3 Environmental → Water → Surface water EF 3.1 kg 2
0928c3f7-2a3d-44a3-bcbc-df93daf7eb7f Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-21125bfef4aa4dbb",
  "prefLabel": [
    {
      "@value": "Dibenzyl Sulphoxide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,1′-[Sulfinylbis(methylene)]bis[benzene]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=621-08-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, 1,1′-[sulfinylbis(methylene)]bis-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzyl sulfoxide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bis(phenylmethyl) sulfoxide",
      "@language": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Dibenzyl sulfoxide",
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    },
    {
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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