CHEBI:173589 - 2-acetyl-5-methylthiophene

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 2-acetyl-5-methylthiophene ChEBI ID CHEBI:173589 Definition A thiophene that is substituted by acetyl and methyl groups at positions 2 and 5, respectively. Stars This entity has been manually annotated by the ChEBI Team. Submitter MetaboLights 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 C7H8OS Net Charge 0 Average Mass 140.200 Monoisotopic Mass 140.02959 InChI InChI=1S/C7H8OS/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3 InChIKey YOSDTJYMDAEEAZ-UHFFFAOYSA-N SMILES CC(=O)C1=CC=C(C)S1 Roles Classification Biological Role(s): flavouring agent A food additive that is used to added improve the taste or odour of a food. Application(s): flavouring agent A food additive that is used to added improve the taste or odour of a food. View more via ChEBI Ontology ChEBI Ontology Outgoing 2-acetyl-5-methylthiophene (CHEBI:173589) has role flavouring agent (CHEBI:35617) 2-acetyl-5-methylthiophene (CHEBI:173589) is a aromatic ketone (CHEBI:76224) 2-acetyl-5-methylthiophene (CHEBI:173589) is a methyl ketone (CHEBI:51867) 2-acetyl-5-methylthiophene (CHEBI:173589) is a thiophenes (CHEBI:26961) IUPAC Name 1-(5-methylthiophen-2-yl)ethanone Synonyms Sources 1-(5-methyl-2-thienyl)ethanone ChemIDplus 1-(5-methylthiophen-2-yl)ethan-1-one IUPAC 2-methyl-5-acetylthiophene NIST Chemistry WebBook 5-methyl-2-thienyl methyl ketone ChEBI FEMA 4643 ChEBI methyl 5-methyl-2-thienyl ketone NIST Chemistry WebBook Manual Xrefs Databases 75479 ChemSpider FDB011131 FooDB HMDB0033130 HMDB View more database links Registry Numbers Types Sources 110854 Reaxys Registry Number Reaxys 13679-74-8 CAS Registry Number ChemIDplus 13679-74-8 CAS Registry Number NIST Chemistry WebBook Citations Types Sources 19924760 PubMed citation Europe PMC 34361037 PubMed citation Europe PMC Last Modified 10 February 2022