EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:137674 - benzyl thiol

ChEBI IDCHEBI:137674
ChEBI Namebenzyl thiol
Stars
DefinitionA thiol that is toluene in which one of the methyl hydrogens has been replaced by a sulfanyl group.
Last Modified17 September 2021
SubmitterAnne Morgat
DownloadsMolfile
FormulaC7H8S
Net Charge0
Average Mass124.208
Monoisotopic Mass124.03467
SMILESSCc1ccccc1
InChIInChI=1S/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyUENWRTRMUIOCKN-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
benzyl thiol (CHEBI:137674) has parent hydride toluene (CHEBI:17578)
benzyl thiol (CHEBI:137674) has role plant metabolite (CHEBI:76924)
benzyl thiol (CHEBI:137674) is a benzenes (CHEBI:22712)
benzyl thiol (CHEBI:137674) is a thiol (CHEBI:29256)
IUPAC Name 
phenylmethanethiol
Synonyms  Source
alpha-MercaptotolueneChemIDplus
alpha-ToluenethiolChemIDplus
benzenemethanethiolNIST Chemistry WebBook
Benzyl hydrosulfideChemIDplus
Benzyl mercaptanChemIDplus
benzylthiolNIST Chemistry WebBook
UniProt Name  Source
benzylthiolUniProt
Manual XrefsDatabases
CPD-21128MetaCyc
enzyl_mercaptanWikipedia
EP0337838Patent
FDB000803FooDB
HMDB0029633HMDB
Registry NumbersSources
Reaxys:605864Reaxys
CAS:100-53-8NIST Chemistry WebBook
CAS:100-53-8ChemIDplus
Citations