CAS 81518-27-6

3-(2-Hydroxyphenyl)-4-(4-bromophenyl)-5-mercaptotriazole

Description:

3-(2-Hydroxyphenyl)-4-(4-bromophenyl)-5-mercaptotriazole, with the CAS number 81518-27-6, is a chemical compound that belongs to the class of triazoles, which are five-membered heterocyclic compounds containing three nitrogen atoms. This substance features a triazole ring substituted with a hydroxyl group and a bromophenyl moiety, contributing to its potential biological activity. The presence of the mercapto group (–SH) suggests that it may exhibit thiol-related reactivity, which can be significant in various chemical reactions, including nucleophilic substitutions and redox processes. The hydroxyl group can enhance solubility in polar solvents and may also participate in hydrogen bonding, influencing the compound's interactions in biological systems. Additionally, the bromine atom can impart unique electronic properties and may enhance the compound's lipophilicity. Overall, this compound's structural features suggest potential applications in pharmaceuticals, agrochemicals, or as a reagent in organic synthesis, although specific applications would depend on further research into its biological and chemical properties.

Formula: C₁₄H₁₀BrN₃OS

InChI: InChI=1S/C14H10BrN3OS/c15-9-5-7-10(8-6-9)18-13(16-17-14(18)20)11-3-1-2-4-12(11)19/h1-8,19H,(H,17,20)

InChI key: InChIKey=KUMSNWAQJIDGRP-UHFFFAOYSA-N

SMILES: S=C1N(C(=NN1)C2=C(O)C=CC=C2)C3=CC=C(Br)C=C3

Synonyms:

• 2-[4-(4-Bromophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenol
• 3-(2-Hydroxyphenyl)-4-(4-bromophenyl)-5-mercaptotriazole
• 2-[4-(4-Bromo-phenyl)-5-mercapto-4H-[1,2,4]triazol-3-yl]-phenol
• 3H-1,2,4-Triazole-3-thione, 4-(4-bromophenyl)-2,4-dihydro-5-(2-hydroxyphenyl)-
• 4-(4-Bromophenyl)-2,4-dihydro-5-(2-hydroxyphenyl)-3H-1,2,4-triazole-3-thione