CAS 74599-37-4

2-[(4-Amino-4H-1,2,4-triazol-3-yl)thio]acetic acid

Description:

2-[(4-Amino-4H-1,2,4-triazol-3-yl)thio]acetic acid, with the CAS number 74599-37-4, is a chemical compound characterized by its unique structure that includes a triazole ring and a thiol group. This compound typically exhibits properties such as solubility in polar solvents due to the presence of the carboxylic acid functional group, which can engage in hydrogen bonding. The amino group contributes to its potential as a ligand in coordination chemistry, while the triazole moiety may impart biological activity, making it of interest in pharmaceutical research. The compound may also exhibit moderate acidity due to the carboxylic acid group, influencing its reactivity and interactions with other molecules. Additionally, the presence of sulfur in the thiol group can enhance its nucleophilicity, allowing it to participate in various chemical reactions. Overall, this compound's unique functional groups suggest potential applications in medicinal chemistry and biochemistry, particularly in the development of new therapeutic agents.

Formula: C₄H₆N₄O₂S

InChI: InChI=1S/C4H6N4O2S/c5-8-2-6-7-4(8)11-1-3(9)10/h2H,1,5H2,(H,9,10)

InChI key: InChIKey=OOZQXHIKVYNIET-UHFFFAOYSA-N

SMILES: S(CC(O)=O)C=1N(N)C=NN1

Synonyms:

• Acetic acid, 2-[(4-amino-4H-1,2,4-triazol-3-yl)thio]-
• 2-[(4-Amino-4H-1,2,4-triazol-3-yl)thio]acetic acid
• 2-[(4-Amino-1,2,4-triazol-3-yl)sulfanyl]acetic acid
• Acetic acid, [(4-amino-4H-1,2,4-triazol-3-yl)thio]-
• (4-Amino-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid