CHEBI:134281 - thioanisole

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ChEBI Name thioanisole ChEBI ID CHEBI:134281 Definition An aryl sulfide that is thiophenol in which the hydrogen of the thiol group has been replaced by a methyl group. Stars This entity has been manually annotated by the ChEBI Team. Submitter Gemma Holliday Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C7H8S Net Charge 0 Average Mass 124.205 Monoisotopic Mass 124.03467 InChI InChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3 InChIKey HNKJADCVZUBCPG-UHFFFAOYSA-N SMILES C=1C(=CC=CC1)SC Metabolite of Species Details Ascophyllum nodosum See: PubMed ChEBI Ontology Outgoing 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 (methylsulfinyl)benzene (CHEBI:134307) has functional parent thioanisole (CHEBI:134281) IUPAC Names (methylsulfanyl)benzene methyl phenyl sulfide Synonyms Sources (1-thiaethyl)benzene ChemIDplus (methylthio)benzene ChemIDplus 1-phenyl-1-thiaethane ChemIDplus methyl phenyl thioether ChemIDplus methylphenylsulfide ChemIDplus methylthiobenzene NIST Chemistry WebBook phenyl methyl sulfide ChemIDplus phenylthiomethane ChemIDplus Manual Xrefs Databases 16R PDBeChem 7520 PubChem CPD-14757 MetaCyc HMDB0034448 HMDB View more database links Registry Numbers Types Sources 100-68-5 CAS Registry Number ChemIDplus 100-68-5 CAS Registry Number NIST Chemistry WebBook 1904179 Reaxys Registry Number Reaxys Citations Types Sources 11121113 PubMed citation SUBMITTER 21168267 PubMed citation Europe PMC 21261073 PubMed citation Europe PMC 23053095 PubMed citation Europe PMC 24092008 PubMed citation Europe PMC 25682227 PubMed citation Europe PMC Last Modified 01 March 2017