CAS 174574-08-4

4-methyl-5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol

Description:

4-Methyl-5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol is a chemical compound characterized by its triazole ring, which is a five-membered heterocyclic structure containing three nitrogen atoms. This compound features a thiol (-SH) functional group, contributing to its potential reactivity and ability to form disulfide bonds. The presence of the methyl and 2-methylphenyl substituents enhances its lipophilicity and may influence its biological activity. It is typically used in research and development, particularly in the fields of pharmaceuticals and agrochemicals, due to its potential as a fungicide or in other applications where triazole derivatives are beneficial. The compound's properties, such as solubility, stability, and reactivity, can vary based on environmental conditions and the presence of other substances. Safety data should be consulted for handling and usage, as thiol compounds can be sensitive to oxidation and may have specific toxicity profiles. Overall, 4-methyl-5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol represents a versatile structure in organic chemistry with various applications.

Formula: C₁₀H₁₁N₃S

InChI: InChI=1/C10H11N3S/c1-7-5-3-4-6-8(7)9-11-12-10(14)13(9)2/h3-6H,1-2H3,(H,12,14)

SMILES: Cc1ccccc1c1nnc(n1C)S

Synonyms:

• 4H-1,2,4-Triazole-3-thiol, 4-methyl-5-(2-methylphenyl)-
• 4-Methyl-5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol