CAS 149771-17-5: 5-Pyrimidinecarboxylic acid, 2-(methylthio)-4-(trifluoromethyl)-

Description: 5-Pyrimidinecarboxylic acid, 2-(methylthio)-4-(trifluoromethyl)-, identified by CAS number 149771-17-5, is a heterocyclic organic compound featuring a pyrimidine ring substituted with a carboxylic acid group, a methylthio group, and a trifluoromethyl group. The presence of the carboxylic acid functional group indicates that it can act as an acid, potentially participating in various chemical reactions such as esterification or amidation. The trifluoromethyl group is known for imparting unique electronic properties, enhancing the compound's lipophilicity and potentially influencing its biological activity. The methylthio group can contribute to the compound's reactivity and solubility characteristics. Overall, this compound may exhibit interesting pharmacological properties, making it of interest in medicinal chemistry and agrochemical applications. Its structural features suggest potential utility in the development of pharmaceuticals or agrochemicals, although specific applications would depend on further research into its biological activity and chemical behavior.

Formula: C₇H₅F₃N₂O₂S

InChI: InChI=1S/C7H5F3N2O2S/c1-15-6-11-2-3(5(13)14)4(12-6)7(8,9)10/h2H,1H3,(H,13,14)

InChI key: InChIKey=ZKPUESBDOBYRQN-UHFFFAOYSA-N

SMILES: O=C(O)C1=CN=C(N=C1C(F)(F)F)SC

Synonyms:

• 2-(Methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
• 2-(Methylthio)-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid
• 4-(Trifluoromethyl)-2-(Methylthio)Pyrimidine-5-Carboxylic Acid

5-Pyrimidinecarboxylic acid, 2-(methylthio)-4-(trifluoromethyl)-

CAS: 149771-17-5

• Formula: C₇H₅F₃N₂O₂S
• Purity: 97%
• Color and Shape: Solid
• Molecular weight: 238.1870

2-(Methylthio)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid

CAS: 149771-17-5

• Purity: 95%
• Molecular weight: 238.17999267578125

4-(Trifluoromethyl)-2-(methylthio)pyrimidine-5-carboxylic acid

CAS: 149771-17-5

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• Formula: C₇H₅F₃N₂O₂S
• Purity: Min. 95%
• Molecular weight: 238.19 g/mol