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CHEBI:194605 - 4-Acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylic acid

ChEBI IDCHEBI:194605
ChEBI Name4-Acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC9H10O3S2
Net Charge0
Average Mass230.310
Monoisotopic Mass230.00714
SMILESCSc1sc(C(=O)O)c(C)c1C(C)=O
InChIInChI=1S/C9H10O3S2/c1-4-6(5(2)10)9(13-3)14-7(4)8(11)12/h1-3H3,(H,11,12)
InChIKeyKEWQKVSPZZSZNE-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-Acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylic acid (CHEBI:194605) is a thiophenecarboxylic acid (CHEBI:48436)
IUPAC Name 
4-acetyl-3-methyl-5-methylsulanylthiophene-2-carboxylic acid
Manual XrefsDatabases
630112ChemSpider