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CHEBI:93049 - 6,6-dimethyl-3-(methylthio)-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid

ChEBI IDCHEBI:93049
ChEBI Name6,6-dimethyl-3-(methylthio)-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid
Stars
DownloadsMolfile
FormulaC12H14O3S2
Net Charge0
Average Mass270.375
Monoisotopic Mass270.03844
SMILESCSc1sc(C(=O)O)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C12H14O3S2/c1-12(2)4-6-8(7(13)5-12)11(16-3)17-9(6)10(14)15/h4-5H2,1-3H3,(H,14,15)
InChIKeyXOXHNCQEJNHCDW-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)
6,6-dimethyl-3-(methylthio)-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid (CHEBI:93049) is a thiophenecarboxylic acid (CHEBI:48436)
Manual XrefsDatabases
LSM-3332LINCS