CAS 331272-48-1

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

Description:

5-[(3-Methylphenoxy)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, including as a reducing agent or in the formation of disulfide bonds. The presence of a prop-2-en-1-yl group indicates that it has an alkene functionality, which can participate in addition reactions. The 3-methylphenoxy group suggests that the compound has aromatic characteristics, potentially influencing its solubility and interaction with biological systems. Overall, this compound may exhibit biological activity, making it of interest in pharmaceutical research, particularly in the development of agrochemicals or medicinal agents. Its specific properties, such as solubility, stability, and reactivity, would depend on the molecular environment and conditions under which it is studied.

Formula: C₁₃H₁₅N₃OS

InChI: InChI=1/C13H15N3OS/c1-3-7-16-12(14-15-13(16)18)9-17-11-6-4-5-10(2)8-11/h3-6,8H,1,7,9H2,2H3,(H,15,18)

SMILES: C=CCn1c(COc2cccc(C)c2)nnc1S

Synonyms:

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

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

CAS: 331272-48-1

Formula: C₁₃H₁₅N₃OS

Purity: 95.0%

Molecular weight: 261.34

Ref: 10-F307754