EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:188351 - octane-1-thiol

ChEBI IDCHEBI:188351
ChEBI Nameoctane-1-thiol
Stars
DefinitionAn alkanethiol that is octane substituted by a thiol group at position 1.
Last Modified5 May 2022
Submitterbroose.reactome@gmail.com
DownloadsMolfile
FormulaC8H18S
Net Charge0
Average Mass146.299
Monoisotopic Mass146.11292
SMILESCCCCCCCCS
InChIInChI=1S/C8H18S/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
InChIKeyKZCOBXFFBQJQHH-UHFFFAOYSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
octane-1-thiol (CHEBI:188351) is a alkanethiol (CHEBI:47908)
IUPAC Name 
octane-1-thiol
Synonyms  Source
1-octanethiolChemIDplus
n-octanethiolChemIDplus
n-octyl mercaptanChemIDplus
1-octylthiolChemIDplus
n-octylmercaptanChemIDplus
n-octanethiolateChemIDplus
Manual XrefsDatabases
HMDB0243979HMDB
7852ChemSpider
1-OctanethiolWikipedia
Registry NumbersSources
Reaxys:1733101Reaxys
CAS:111-88-6ChemIDplus
CAS:111-88-6NIST Chemistry WebBook
Citations