CAS 847783-65-7

3-(4-Ethoxyphenyl)-1,5-dihydro-5-thioxo-4H-1,2,4-triazole-4-acetic acid

Description:

3-(4-Ethoxyphenyl)-1,5-dihydro-5-thioxo-4H-1,2,4-triazole-4-acetic acid is a chemical compound characterized by its unique triazole ring structure, which contributes to its potential biological activity. The presence of the ethoxyphenyl group enhances its lipophilicity, potentially influencing its solubility and permeability in biological systems. The thioxo group introduces reactivity that may be relevant in various chemical reactions, including those involving nucleophiles. This compound is likely to exhibit properties typical of triazole derivatives, such as antifungal or antibacterial activities, although specific biological activities would depend on further empirical studies. Additionally, the carboxylic acid functional group may impart acidic properties, affecting its interaction with biological targets and its overall pharmacokinetics. The compound's molecular structure suggests it could be of interest in medicinal chemistry, particularly in the development of new therapeutic agents. As with many synthetic compounds, safety and handling precautions should be observed, and its stability under various conditions should be evaluated for practical applications.

Formula: C₁₂H₁₃N₃O₃S

InChI: InChI=1S/C12H13N3O3S/c1-2-18-9-5-3-8(4-6-9)11-13-14-12(19)15(11)7-10(16)17/h3-6H,2,7H2,1H3,(H,14,19)(H,16,17)

InChI key: InChIKey=CPIXDSLDXQRAPI-UHFFFAOYSA-N

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

Synonyms:

• 3-(4-Ethoxyphenyl)-1,5-dihydro-5-thioxo-4H-1,2,4-triazole-4-acetic acid
• 4H-1,2,4-Triazole-4-acetic acid, 3-(4-ethoxyphenyl)-1,5-dihydro-5-thioxo-