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> Main
CHEBI:137674 - benzyl thiol
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ChEBI Name
benzyl thiol
ChEBI ID
CHEBI:137674
Definition
A thiol that is toluene in which one of the methyl hydrogens has been replaced by a sulfanyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Anne Morgat
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Formula
C7H8S
Net Charge
0
Average Mass
124.205
Monoisotopic Mass
124.03467
InChI
InChI=1S/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKey
UENWRTRMUIOCKN-UHFFFAOYSA-N
SMILES
C1(=CC=CC=C1)CS
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
Sources
(mercaptomethyl)benzene
SUBMITTER
α-Mercaptotoluene
NIST Chemistry WebBook
alpha-Mercaptotoluene
ChemIDplus
α-Toluenethiol
NIST Chemistry WebBook
alpha-Toluenethiol
ChemIDplus
α-Toluolthiol
NIST Chemistry WebBook
benzenemethanethiol
NIST Chemistry WebBook
Benzyl hydrosulfide
ChemIDplus
Benzyl mercaptan
ChemIDplus
benzylthiol
NIST Chemistry WebBook
benzylthiol
UniProt
Phenylmethyl mercaptan
ChemIDplus
Thiobenzyl alcohol
ChemIDplus
toluene-α-thiol
NIST Chemistry WebBook
Toluene-alpha-thiol
ChemIDplus
Manual Xrefs
Databases
CPD-21128
MetaCyc
enzyl_mercaptan
Wikipedia
EP0337838
Patent
FDB000803
FooDB
HMDB0029633
HMDB
View more database links
Registry Numbers
Types
Sources
100-53-8
CAS Registry Number
NIST Chemistry WebBook
100-53-8
CAS Registry Number
ChemIDplus
605864
Reaxys Registry Number
Reaxys
Citations
Types
Sources
12590483
PubMed citation
Europe PMC
19962152
PubMed citation
Europe PMC
23386308
PubMed citation
Europe PMC
25284255
PubMed citation
SUBMITTER
25516366
PubMed citation
Europe PMC
26358562
PubMed citation
Europe PMC
26708339
PubMed citation
Europe PMC
9920748
PubMed citation
Europe PMC
Last Modified
17 September 2021