CAS 69198-37-4

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

Description:

5-(4-Methoxybenzyl)-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 methoxybenzyl group and an allyl substituent, contributing to its potential reactivity and biological activity. The presence of the thiol (-SH) group indicates that it may participate in redox reactions and can form disulfide bonds, which are significant in biological systems. The methoxy group enhances its lipophilicity, potentially affecting its solubility and permeability in biological membranes. This compound may exhibit various pharmacological properties, making it of interest in medicinal chemistry. Its CAS number, 69198-37-4, allows for easy identification in chemical databases. Overall, the unique structural features of this compound suggest potential applications in drug development and other chemical research areas, although specific biological activities would require further investigation.

Formula: C₁₃H₁₅N₃OS

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

SMILES: C=CCn1c(Cc2ccc(cc2)OC)nnc1S

Synonyms:

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

4-Allyl-5-(4-methoxybenzyl)-4H-1,2,4-triazole-3-thiol

CAS: 69198-37-4

Formula: C₁₃H₁₅N₃OS

Molecular weight: 261.3427

Ref: IN-DA005KL3

4-allyl-5-(4-methoxybenzyl)-4H-1,2,4-triazole-3-thiol

CAS: 69198-37-4

Formula: C₁₃H₁₅N₃OS

Purity: 95.0%

Molecular weight: 261.34

Ref: 10-F307725