CAS 91092-12-5

5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

Description:

5-(4-Chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol is a chemical compound characterized by its triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. The presence of a 4-chlorophenyl group indicates that there is a chlorine substituent on a phenyl ring, contributing to the compound's potential biological activity. The prop-2-en-1-yl group introduces an alkene functionality, which may enhance reactivity and provide sites for further chemical modifications. The thiol (-SH) group at the 3-position of the triazole ring is notable for its ability to form disulfide bonds and participate in redox reactions, making the compound of interest in various chemical and biological applications. This compound may exhibit antimicrobial or antifungal properties, typical of many triazole derivatives, and could be explored for use in pharmaceuticals or agrochemicals. Its specific properties, such as solubility, stability, and reactivity, would depend on the surrounding conditions and the presence of other functional groups.

Formula: C₁₁H₁₀ClN₃S

InChI: InChI=1/C11H10ClN3S/c1-2-7-15-10(13-14-11(15)16)8-3-5-9(12)6-4-8/h2-6H,1,7H2,(H,14,16)

SMILES: C=CCn1c(c2ccc(cc2)Cl)nnc1S

Synonyms:

• 3H-1,2,4-Triazole-3-thione, 5-(4-chlorophenyl)-2,4-dihydro-4-(2-propen-1-yl)-
• 4-Allyl-5-(4-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
• 4-Allyl-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol
• 4H-1,2,4-Triazole-3-thiol, 5-(4-chlorophenyl)-4-(2-propen-1-yl)-