EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:48498 - thiophenol

ChEBI IDCHEBI:48498
ChEBI Namethiophenol
Stars
DefinitionA thiol in which the sulfanyl group is attached to a phenyl group.
Last Modified27 January 2017
Submitterhcourrier
DownloadsMolfile
FormulaC6H6S
Net Charge0
Average Mass110.181
Monoisotopic Mass110.01902
SMILESSc1ccccc1
InChIInChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H
InChIKeyRMVRSNDYEFQCLF-UHFFFAOYSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
thiophenol (CHEBI:48498) is a aryl thiol (CHEBI:82711)
Incoming Relation(s)
thioanisole (CHEBI:134281) has functional parent thiophenol (CHEBI:48498)
phenylsulfanyl group (CHEBI:48499) is substituent group from thiophenol (CHEBI:48498)
IUPAC Name 
benzenethiol
Synonyms  Source
phenyl mercaptanChemIDplus
mercaptobenzeneChemIDplus
PhenylthiolChemIDplus
Manual XrefsDatabases
CPD-8132MetaCyc
ThiophenolWikipedia
HMDB0033746HMDB
Registry NumbersSources
Reaxys:506523Reaxys
CAS:108-98-5ChemIDplus
Citations