CAS 81518-26-5

2,4-Dihydro-5-(2-hydroxyphenyl)-4-phenyl-3H-1,2,4-triazole-3-thione

Description:

2,4-Dihydro-5-(2-hydroxyphenyl)-4-phenyl-3H-1,2,4-triazole-3-thione, with CAS number 81518-26-5, is a chemical compound that belongs to the class of triazoles, which are five-membered heterocyclic compounds containing three nitrogen atoms. This particular triazole derivative features a thione functional group, indicating the presence of a sulfur atom double-bonded to a carbon atom, which contributes to its reactivity and potential biological activity. The compound exhibits a phenolic hydroxyl group, which can enhance its solubility in polar solvents and may also play a role in its interaction with biological targets. Its structure suggests potential applications in pharmaceuticals, particularly in the development of antifungal or antimicrobial agents, due to the presence of the triazole ring, which is known for its ability to inhibit fungal growth. Additionally, the compound's unique arrangement of substituents may impart specific properties such as antioxidant activity or metal chelation, making it of interest in various fields, including medicinal chemistry and agricultural science.

Formula: C₁₄H₁₁N₃OS

InChI: InChI=1S/C14H11N3OS/c18-12-9-5-4-8-11(12)13-15-16-14(19)17(13)10-6-2-1-3-7-10/h1-9,18H,(H,16,19)

InChI key: InChIKey=OPECQRMMGCXRAG-UHFFFAOYSA-N

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

Synonyms:

• 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(2-hydroxyphenyl)-4-phenyl-
• 3-(2-Hydroxyphenyl)-4-phenyl-1H-1,2,4-triazole-5(4H)-thione
• 2-(5-Mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)phenol
• Phenol, o-(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)-
• 2,4-Dihydro-5-(2-hydroxyphenyl)-4-phenyl-3H-1,2,4-triazole-3-thione