CHEBI:192308 - Benzyl methyl sulfide

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Benzyl methyl sulfide
ChEBI ID CHEBI:192308
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H10S
Net Charge 0
Average Mass 138.230
Monoisotopic Mass 138.05032
InChI InChI=1S/C8H10S/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey OFQPKKGMNWASPN-UHFFFAOYSA-N
SMILES S(CC1=CC=CC=C1)C
Metabolite of Species Details
Ovis aries (NCBI:txid9940) Found in Rumen (NCIT:C98778). See: MetaboLights Study
ChEBI Ontology
Outgoing Benzyl methyl sulfide (CHEBI:192308) is a benzenes (CHEBI:22712)
IUPAC Name
methylsulanylmethylbenzene
Manual Xrefs Databases
12475 ChemSpider
D88728 KEGG DRUG
HMDB0031314 HMDB
View more database links
Registry Number Type Source
766-92-7 CAS Registry Number ChemIDplus