CAS 333767-06-9

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

Description:

5-[(4-chlorophenoxy)methyl]-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 thiol group (-SH), which contributes to its reactivity and potential applications in various chemical reactions. The presence of a chlorophenoxy group enhances its lipophilicity and may influence its biological activity, making it of interest in pharmaceutical research. The prop-2-en-1-yl substituent introduces a double bond, which can participate in further chemical transformations, such as polymerization or addition reactions. This compound may exhibit properties such as antimicrobial or antifungal activity, typical of triazole derivatives, and could be utilized in agricultural or medicinal chemistry. Its specific characteristics, such as solubility, stability, and reactivity, would depend on the surrounding conditions and the presence of other functional groups. Overall, this compound represents a versatile structure with potential applications in various fields of chemistry.

Formula: C₁₂H₁₂ClN₃OS

InChI: InChI=1/C12H12ClN3OS/c1-2-7-16-11(14-15-12(16)18)8-17-10-5-3-9(13)4-6-10/h2-6H,1,7-8H2,(H,15,18)

SMILES: C=CCn1c(COc2ccc(cc2)Cl)nnc1S

Synonyms:

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