CAS 886500-82-9

2-[(3,4-Dihydro-3,6-dimethyl-4-oxo-2-quinazolinyl)thio]acetic acid

Description:

2-[(3,4-Dihydro-3,6-dimethyl-4-oxo-2-quinazolinyl)thio]acetic acid is a chemical compound characterized by its unique structure, which includes a quinazoline moiety and a thioacetic acid functional group. This compound typically exhibits properties such as moderate solubility in polar solvents due to the presence of the carboxylic acid group, while the quinazoline ring may contribute to its lipophilicity. The presence of the thioether linkage can influence its reactivity and biological activity, potentially allowing for interactions with various biological targets. The compound may also display pharmacological properties, making it of interest in medicinal chemistry. Its molecular structure suggests potential applications in drug development, particularly in areas related to anti-inflammatory or anticancer therapies. As with many organic compounds, its stability, reactivity, and biological activity can be influenced by environmental factors such as pH and temperature. Overall, this compound represents a complex structure with potential utility in various chemical and pharmaceutical applications.

Formula: C₁₂H₁₂N₂O₃S

InChI: InChI=1S/C12H12N2O3S/c1-7-3-4-9-8(5-7)11(17)14(2)12(13-9)18-6-10(15)16/h3-5H,6H2,1-2H3,(H,15,16)

InChI key: InChIKey=BJAFVPZQYWSQGQ-UHFFFAOYSA-N

SMILES: O=C1C=2C(N=C(SCC(O)=O)N1C)=CC=C(C)C2

Synonyms:

• Acetic acid, [(3,4-dihydro-3,6-dimethyl-4-oxo-2-quinazolinyl)thio]-
• 2-[(3,4-Dihydro-3,6-dimethyl-4-oxo-2-quinazolinyl)thio]acetic acid
• Acetic acid, 2-[(3,4-dihydro-3,6-dimethyl-4-oxo-2-quinazolinyl)thio]-