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CHEBI:134281 - thioanisole

ChEBI IDCHEBI:134281
ChEBI Namethioanisole
Stars
DefinitionAn aryl sulfide that is thiophenol in which the hydrogen of the thiol group has been replaced by a methyl group.
Last Modified7 November 2024
Submittergemma
DownloadsMolfile
FormulaC7H8S
Net Charge0
Average Mass124.208
Monoisotopic Mass124.03467
SMILESCSc1ccccc1
InChIInChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyHNKJADCVZUBCPG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ascophyllum nodosum (ncbitaxon:52969) - PubMed (11121113)
ChEBI Ontology
Outgoing Relation(s)
thioanisole (CHEBI:134281) has functional parent thiophenol (CHEBI:48498)
thioanisole (CHEBI:134281) is a aryl sulfide (CHEBI:35683)
thioanisole (CHEBI:134281) is a benzenes (CHEBI:22712)
Incoming Relation(s)
(methylsulfinyl)benzene (CHEBI:134307) has functional parent thioanisole (CHEBI:134281)
IUPAC Names 
(methylsulfanyl)benzene
methyl phenyl sulfide
Synonyms  Source
(1-thiaethyl)benzeneChemIDplus
(methylthio)benzeneChemIDplus
phenylthiomethaneChemIDplus
1-phenyl-1-thiaethaneChemIDplus
phenyl methyl sulfideChemIDplus
methylphenylsulfideChemIDplus
Manual XrefsDatabases
7520PubChem Compound
16RPDBeChem
CPD-14757MetaCyc
HMDB0034448HMDB
Registry NumbersSources
Reaxys:1904179Reaxys
CAS:100-68-5ChemIDplus
CAS:100-68-5NIST Chemistry WebBook
Citations