CAS 92286-36-7

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

Description:

5-(3-Chlorophenyl)-4-(prop-2-en-1-yl)-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 3-chlorophenyl group and a prop-2-en-1-yl substituent, contributing to its unique reactivity and potential biological activity. The presence of the thiol (-SH) group enhances its ability to form coordination complexes with metals and may also impart antioxidant properties. The compound's structure suggests potential applications in pharmaceuticals, agrochemicals, or as a biochemical probe due to its ability to interact with various biological targets. Its CAS number, 92286-36-7, allows for easy identification in chemical databases. Overall, the characteristics of this compound, including its functional groups and heterocyclic nature, make it a subject of interest in synthetic chemistry and medicinal research.

Formula: C₁₁H₁₀ClN₃S

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

SMILES: C=CCn1c(c2cccc(c2)Cl)nnc1S

Synonyms:

• 3H-1,2,4-triazole-3-thione, 5-(3-chlorophenyl)-2,4-dihydro-4-(2-propen-1-yl)-
• 4-Allyl-5-(3-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
• 4-Allyl-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol
• 4H-1,2,4-triazole-3-thiol, 5-(3-chlorophenyl)-4-(2-propen-1-yl)-
• SMR000104242
• ZINC00074280
• A3218/0136521
• 4-allyl-5-(3-chlorophenyl)-2H-1,2,4-triazole-3-thione
• 5-(3-chlorophenyl)-4-prop-2-enyl-2H-1,2,4-triazole-3-thione
• CBMicro_038240
• AG-205/12014162
• ZINC01440216
• MLS000108281
• Albb-003246
• ZERO/006571
• A1918/0080604
• 4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol(SALTDATA: FREE)
• BIM-0038324.P001