CAS 424798-45-8

5-[(4-chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol

Description:

5-[(4-chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol, with the CAS number 424798-45-8, 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 thiol group (-SH) and a chlorophenoxy methyl substituent, contributing to its unique chemical properties. The presence of the thiol group suggests potential reactivity, particularly in forming disulfide bonds or participating in nucleophilic reactions. The chlorophenoxy moiety may impart specific biological activity, making this compound of interest in pharmaceutical and agricultural applications. Its structure indicates potential for interactions with biological targets, possibly influencing enzyme activity or acting as a fungicide. Additionally, the compound's solubility, stability, and reactivity can be influenced by the substituents on the triazole ring, which may affect its application in various fields, including medicinal chemistry and agrochemicals. Overall, this compound exemplifies the diverse functionality of triazole derivatives in chemical and biological contexts.

Formula: C₁₀H₁₀ClN₃OS

InChI: InChI=1/C10H10ClN3OS/c1-14-9(12-13-10(14)16)6-15-8-4-2-7(11)3-5-8/h2-5H,6H2,1H3,(H,13,16)

SMILES: Cn1c(COc2ccc(cc2)Cl)nnc1S

Synonyms:

• 4H-1,2,4-Triazole-3-thiol, 5-[(4-chlorophenoxy)methyl]-4-methyl-

5-[(4-Chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol

CAS: 424798-45-8

Formula: C₁₀H₁₀ClN₃OS

Purity: 95.0%

Molecular weight: 255.72

Ref: 10-F039267