CHEBI:169314 - 1-Hexanethiol

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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 1-Hexanethiol
ChEBI ID CHEBI:169314
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C6H14S
Net Charge 0
Average Mass 118.240
Monoisotopic Mass 118.08162
InChI InChI=1S/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
InChIKey PMBXCGGQNSVESQ-UHFFFAOYSA-N
SMILES SCCCCCC
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 1-Hexanethiol (CHEBI:169314) is a alkanethiol (CHEBI:47908)
IUPAC Name
hexane-1-thiol
Manual Xrefs Databases
7815 ChemSpider
HMDB0039806 HMDB
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Registry Number Type Source
111-31-9 CAS Registry Number ChemIDplus