EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:169314 - 1-Hexanethiol

ChEBI IDCHEBI:169314
ChEBI Name1-Hexanethiol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC6H14S
Net Charge0
Average Mass118.245
Monoisotopic Mass118.08162
SMILESCCCCCCS
InChIInChI=1S/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
InChIKeyPMBXCGGQNSVESQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
1-Hexanethiol (CHEBI:169314) is a alkanethiol (CHEBI:47908)
IUPAC Name 
hexane-1-thiol
Manual XrefsDatabases
HMDB0039806HMDB
7815ChemSpider
Registry NumbersSources
CAS:111-31-9ChemIDplus