CAS 832738-11-1

2-[[4-Amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio]acetic acid

Description:

2-[[4-Amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio]acetic acid, with the CAS number 832738-11-1, is a chemical compound characterized by its unique structure that includes a triazole ring and a thiol group. This compound features a trifluoromethyl group, which enhances its biological activity and lipophilicity. The presence of the amino group contributes to its potential as a ligand in various biochemical interactions. As an acetic acid derivative, it exhibits acidic properties, which may influence its solubility and reactivity in different environments. This compound is of interest in pharmaceutical research, particularly for its potential applications in agrochemicals and medicinal chemistry, where its triazole moiety may impart antifungal or antimicrobial properties. Its synthesis and characterization involve standard organic chemistry techniques, and it may be analyzed using methods such as NMR spectroscopy, mass spectrometry, and chromatography to confirm its purity and structural integrity. Overall, this compound represents a class of triazole-based derivatives with promising applications in various fields.

Formula: C₅H₅F₃N₄O₂S

InChI: InChI=1S/C5H5F3N4O2S/c6-5(7,8)3-10-11-4(12(3)9)15-1-2(13)14/h1,9H2,(H,13,14)

InChI key: InChIKey=AMHVQHFHYBKZKH-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C=1N(N)C(SCC(O)=O)=NN1

Synonyms:

• 2-[[4-Amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio]acetic acid
• Acetic acid, 2-[[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio]-
• Acetic acid, [[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio]-