CHEBI:48498 - thiophenol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name thiophenol
ChEBI ID CHEBI:48498
Definition A thiol in which the sulfanyl group is attached to a phenyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C6H6S
Net Charge 0
Average Mass 110.178
Monoisotopic Mass 110.019
InChI InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H
InChIKey RMVRSNDYEFQCLF-UHFFFAOYSA-N
SMILES C=1C(=CC=CC1)S
ChEBI Ontology
Outgoing thiophenol (CHEBI:48498) is a aryl thiol (CHEBI:82711)
Incoming thioanisole (CHEBI:134281) has functional parent thiophenol (CHEBI:48498)
phenylsulfanyl group (CHEBI:48499) is substituent group from thiophenol (CHEBI:48498)
IUPAC Name
benzenethiol
Synonyms Sources
mercaptobenzene ChemIDplus
phenyl mercaptan ChemIDplus
Phenylthiol ChemIDplus
Manual Xrefs Databases
CPD-8132 MetaCyc
HMDB0033746 HMDB
Thiophenol Wikipedia
View more database links
Registry Numbers Types Sources
108-98-5 CAS Registry Number ChemIDplus
506523 Reaxys Registry Number Reaxys
506523 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
23902004 PubMed citation Europe PMC
23961762 PubMed citation Europe PMC
Last Modified
27 January 2017