Consensus flow list

Diisopropyl disulfide

fo-85582e8997cf6060

Identity

Type
Neutral molecule
CAS
4253-89-8
EC
224-225-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Diisopropyl disulfide

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string LZAZXBXPKRULLB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H14S2/c1-5(2)7-8-6(3)4/h5-6H,1-4H3
IUPAC name chemrof:IUPAC_name Diisopropyl disulfide
Molecular formula chemrof:molecular_formula C6H14S2
Molecular mass chemrof:molecular_mass 150.312
Monoisotopic mass chemrof:monoisotopic_mass 150.05369, 150.053692
SMILES string chemrof:smiles_string CC(C)SSC(C)C

Known URLs

12

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=4253-89-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:173637 enrich_references.chebi_id_link
ChemSpider https://www.chemspider.com/Chemical-Structure.70322.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6022216 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=75123 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/diisopropyl-disulfide enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/BP550P623A enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0029578 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J99.999G enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43918 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/77932 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27274784 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
65732645-9b32-4157-a25a-06162d532d17 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
7fc00a7c-69ab-419f-a52f-889192158da5 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
ebccd41d-515a-4a22-8d06-460fa4ca1648 Environmental → Air → Indoor EF 3.1 kg 2
a200e2f9-403d-4bc3-be65-1bcb829e4673 Environmental → Air → Long-term EF 3.1 kg 0
78c418f7-665d-4fe1-9d7f-4039fb30b6dd Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
9e03487a-4185-468d-8180-43f74dcbef60 Environmental → Air → Unknown EF 3.1 kg 2
693de981-586c-440e-9602-32831f75fea3 Environmental → Ground → Agricultural EF 3.1 kg 2
04a4ccea-8f6c-4bcb-bfe8-ebe178cbc807 Environmental → Ground → Non-agricultural EF 3.1 kg 2
8d360ff4-9b22-46f8-b0d2-1fa692a0cafc Environmental → Ground → Unknown EF 3.1 kg 2
85f836f8-5108-4ff8-b0dd-bfdc7ba6404f Environmental → Water → Long-term EF 3.1 kg 0
238871f7-6068-4386-a550-41864bc3cf66 Environmental → Water → Ocean EF 3.1 kg 2
ac39c4b5-67a5-48ea-b46b-5fbc90a8ffbd Environmental → Water → Surface water EF 3.1 kg 2
56747017-b215-446c-b4f6-06aad7efb8f2 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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      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=4253-89-8"
        }
      ],
      "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": [
        "224-225-0"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=224-225-0"
      ],
      "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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