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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.
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This entity has been manually annotated by the ChEBI Team.
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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
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
Types
Sources
23902004
PubMed citation
Europe PMC
23961762
PubMed citation
Europe PMC
Last Modified
27 January 2017