CHEBI:169705 - Dibutyl sulfide

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Dibutyl sulfide
ChEBI ID CHEBI:169705
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H18S
Net Charge 0
Average Mass 146.290
Monoisotopic Mass 146.11292
InChI InChI=1S/C8H18S/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3
InChIKey HTIRHQRTDBPHNZ-UHFFFAOYSA-N
SMILES S(CCCC)CCCC
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Dibutyl sulfide (CHEBI:169705) is a aliphatic sulfide (CHEBI:22327)
IUPAC Name
1-butylsulanylbutane
Manual Xrefs Databases
10536 ChemSpider
HMDB0031660 HMDB
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Registry Number Type Source
544-40-1 CAS Registry Number ChemIDplus