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Definition A thiol that is toluene in which one of the methyl hydrogens has been replaced by a sulfanyl group.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
Supplier Information
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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.
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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
phenylmethanethiol UniProt
Phenylmethyl mercaptan ChemIDplus
Thiobenzyl alcohol ChemIDplus
toluene-α-thiol NIST Chemistry WebBook
Toluene-alpha-thiol ChemIDplus
Manual Xrefs Databases
EP0337838 Patent
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 Waiting for 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
05 September 2017