Consensus flow list

Identity

Type
Neutral molecule
CAS
629-19-6
EC
211-079-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Dipropyl disulfide

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ALVPFGSHPUPROW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H14S2/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3
IUPAC name chemrof:IUPAC_name Dipropyl 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 CCCSSCCC

Known URLs

24

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
beilstein beilstein:969200 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=629-19-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:45758 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.010.073 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2022096 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=75122 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=797350 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/propyl-disulfide enrich_references.pubchem_identifier_url
gmelin gmelin:142203 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/I7K169J70F enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0031472 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.517A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C08373 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C08373 enrich_references.pubchem_identifier_url
knapsack knapsack:C00001247 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=44899 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:SSP enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/12377 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/15279303 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18098065 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22610968 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24370661 enrich_references.chebi_xrefs
reaxys reaxys:969200 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q1227317 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d74209e2-26d1-4bf8-8150-42a829b259a7 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
27257ce0-a29f-4d0b-9673-53e7b8a02eef Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
1838d300-0d0a-4f32-ad54-8f8cf1defd60 Environmental → Air → Indoor EF 3.1 kg 2
67d88e77-fe42-42aa-80ee-aed133ba7b67 Environmental → Air → Long-term EF 3.1 kg 0
c3aa3188-a269-491b-ba1c-45355eb1e380 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
69c89cc7-7685-403c-9724-0d1bd7d41194 Environmental → Air → Unknown EF 3.1 kg 2
86346cb2-ba1e-44d4-bced-4f0acb41d244 Environmental → Ground → Agricultural EF 3.1 kg 2
08c32266-b87c-4e63-bd3d-a94aa708a97b Environmental → Ground → Non-agricultural EF 3.1 kg 2
71439eed-4300-4f19-95d7-7590fb3a9c58 Environmental → Ground → Unknown EF 3.1 kg 2
2e84b31f-46d3-48e2-acfc-02f622a0a06e Environmental → Water → Long-term EF 3.1 kg 0
a1045f70-d754-464e-887f-b03263e92df4 Environmental → Water → Ocean EF 3.1 kg 2
144e95b6-5a86-4da5-926d-42467f3eaae3 Environmental → Water → Surface water EF 3.1 kg 2
37c85968-4de5-4993-8a7d-4893b346a0f4 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
{
  "flow_object_id": "fo-719fd82b4bdb3012",
  "prefLabel": [
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      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
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  ],
  "altLabel": [
    {
      "@value": "1,1'-dithiodipropane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "1-(propyldisulfanyl)propane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4,5-dithiaoctane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "di-n-propyl disulfide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "Dipropyl Disulphide",
      "@language": "en",
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        "prov:wasDerivedFrom": "original name retained as altLabel"
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    },
    {
      "@value": "Disulfide, dipropyl",
      "@language": "en",
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    },
    {
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    },
    {
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