CAS 847783-62-4

1,5-Dihydro-3-(3-methylphenyl)-5-thioxo-4H-1,2,4-triazole-4-propanoic acid

Description:

1,5-Dihydro-3-(3-methylphenyl)-5-thioxo-4H-1,2,4-triazole-4-propanoic acid is a chemical compound characterized by its unique triazole ring structure, which contributes to its potential biological activity. This compound features a thioxo group, enhancing its reactivity and possibly influencing its pharmacological properties. The presence of a 3-methylphenyl substituent suggests that it may exhibit hydrophobic interactions, which can affect its solubility and bioavailability. As a propanoic acid derivative, it possesses acidic properties, which may play a role in its interaction with biological targets. The compound's structure indicates potential applications in medicinal chemistry, particularly in the development of pharmaceuticals. Its specific characteristics, such as melting point, solubility, and stability, would depend on the molecular interactions and the environment in which it is studied. Overall, this compound represents a class of triazole derivatives that may have significant implications in drug discovery and development.

Formula: C₁₂H₁₃N₃O₂S

InChI: InChI=1S/C12H13N3O2S/c1-8-3-2-4-9(7-8)11-13-14-12(18)15(11)6-5-10(16)17/h2-4,7H,5-6H2,1H3,(H,14,18)(H,16,17)

InChI key: InChIKey=IQNUGVDCCARERO-UHFFFAOYSA-N

SMILES: C(CC(O)=O)N1C(=NNC1=S)C2=CC(C)=CC=C2

Synonyms:

• 1,5-Dihydro-3-(3-methylphenyl)-5-thioxo-4H-1,2,4-triazole-4-propanoic acid
• 4H-1,2,4-Triazole-4-propanoic acid, 1,5-dihydro-3-(3-methylphenyl)-5-thioxo-