CHEBI:48498 - thiophenol

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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 eMolecules:477143, ZINC000001867127
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Formula C6H6S
Net Charge 0
Average Mass 110.178
Monoisotopic Mass 110.01902
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
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Registry Numbers Types Sources
108-98-5 CAS Registry Number ChemIDplus
506523 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23902004 PubMed citation Europe PMC
23961762 PubMed citation Europe PMC
Last Modified
27 January 2017