CAS 1142213-23-7

3-(3,4-Dihydro-4,4-dimethyl-2-thioxo-1(2H)-pyrimidinyl)-4-methylbenzoic acid

Description:

3-(3,4-Dihydro-4,4-dimethyl-2-thioxo-1(2H)-pyrimidinyl)-4-methylbenzoic acid is a chemical compound characterized by its complex structure, which includes a pyrimidine ring and a benzoic acid moiety. The presence of the thioxo group contributes to its potential reactivity and biological activity. This compound may exhibit properties typical of both pyrimidine derivatives and benzoic acids, such as potential antimicrobial or anti-inflammatory activities, although specific biological activities would depend on further empirical studies. Its molecular structure suggests it may engage in hydrogen bonding and other intermolecular interactions, influencing its solubility and stability. The compound's CAS number, 1142213-23-7, allows for precise identification in chemical databases and literature. As with many organic compounds, its physical properties, such as melting point, boiling point, and solubility, would need to be determined experimentally. Overall, this compound represents a unique combination of functional groups that may be of interest in medicinal chemistry and drug development.

Formula: C₁₄H₁₆N₂O₂S

InChI: InChI=1S/C14H16N2O2S/c1-9-4-5-10(12(17)18)8-11(9)16-7-6-14(2,3)15-13(16)19/h4-8H,1-3H3,(H,15,19)(H,17,18)

InChI key: InChIKey=ZZSJCGCGSQDYSL-UHFFFAOYSA-N

SMILES: S=C1N(C=CC(C)(C)N1)C2=CC(C(O)=O)=CC=C2C

Synonyms:

• Benzoic acid, 3-(3,4-dihydro-4,4-dimethyl-2-thioxo-1(2H)-pyrimidinyl)-4-methyl-
• 3-(3,4-Dihydro-4,4-dimethyl-2-thioxo-1(2H)-pyrimidinyl)-4-methylbenzoic acid