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CHEBI:112853 - 2-methyl-4-(trifluoromethyl)-5-thiazolecarbothioic acid S-(4-methylphenyl) ester

ChEBI IDCHEBI:112853
ChEBI Name2-methyl-4-(trifluoromethyl)-5-thiazolecarbothioic acid S-(4-methylphenyl) ester
Stars
DownloadsMolfile
FormulaC13H10F3NOS2
Net Charge0
Average Mass317.357
Monoisotopic Mass317.01559
SMILESCc1ccc(SC(=O)c2sc(C)nc2C(F)(F)F)cc1
InChIInChI=1S/C13H10F3NOS2/c1-7-3-5-9(6-4-7)20-12(18)10-11(13(14,15)16)17-8(2)19-10/h3-6H,1-2H3
InChIKeyYSFAXDHDPRZXTB-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)
2-methyl-4-(trifluoromethyl)-5-thiazolecarbothioic acid S-(4-methylphenyl) ester (CHEBI:112853) is a aromatic carboxylic acid (CHEBI:33859)
2-methyl-4-(trifluoromethyl)-5-thiazolecarbothioic acid S-(4-methylphenyl) ester (CHEBI:112853) is a thiazoles (CHEBI:48901)
Manual XrefsDatabases
LSM-24263LINCS