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CHEBI:173589 - 2-acetyl-5-methylthiophene

ChEBI IDCHEBI:173589
ChEBI Name2-acetyl-5-methylthiophene
Stars
DefinitionA thiophene that is substituted by acetyl and methyl groups at positions 2 and 5, respectively.
Last Modified10 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H8OS
Net Charge0
Average Mass140.207
Monoisotopic Mass140.02959
SMILESCC(=O)c1ccc(C)s1
InChIInChI=1S/C7H8OS/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3
InChIKeyYOSDTJYMDAEEAZ-UHFFFAOYSA-N
Roles Classification
Biological Role:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
Application:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
ChEBI Ontology
Outgoing Relation(s)
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  Source
1-(5-methylthiophen-2-yl)ethan-1-oneIUPAC
FEMA 4643ChEBI
1-(5-methyl-2-thienyl)ethanoneChemIDplus
methyl 5-methyl-2-thienyl ketoneNIST Chemistry WebBook
2-methyl-5-acetylthiopheneNIST Chemistry WebBook
5-methyl-2-thienyl methyl ketoneChEBI
Manual XrefsDatabases
75479ChemSpider
HMDB0033130HMDB
FDB011131FooDB
Registry NumbersSources
Reaxys:110854Reaxys
CAS:13679-74-8ChemIDplus
CAS:13679-74-8NIST Chemistry WebBook
Citations