CAS 667414-43-9

5-{[4-(propan-2-yl)phenoxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

Description:

5-{[4-(propan-2-yl)phenoxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol is a chemical compound characterized by its unique triazole ring structure, which is a five-membered heterocycle containing three nitrogen atoms. This compound features a thiol group (-SH), contributing to its potential reactivity and ability to form disulfide bonds. The presence of a phenoxy group and an isopropyl substituent enhances its lipophilicity, which may influence its biological activity and solubility in organic solvents. The allyl group (prop-2-en-1-yl) suggests potential for further chemical modifications through reactions such as polymerization or cross-linking. This compound may exhibit various biological activities, including antifungal or antibacterial properties, due to the triazole moiety, which is known for its role in inhibiting specific enzymes in pathogens. Its specific applications and efficacy would depend on further studies and evaluations in pharmacological contexts. Overall, the compound's structural features suggest versatility in chemical reactivity and potential utility in medicinal chemistry.

Formula: C₁₅H₁₉N₃OS

InChI: InChI=1/C15H19N3OS/c1-4-9-18-14(16-17-15(18)20)10-19-13-7-5-12(6-8-13)11(2)3/h4-8,11H,1,9-10H2,2-3H3,(H,17,20)

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

Synonyms:

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

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

CAS: 667414-43-9

Formula: C₁₅H₁₉N₃OS

Molecular weight: 289.3959

Ref: IN-DA00FBTX

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

CAS: 667414-43-9

Formula: C₁₅H₁₉N₃OS

Purity: 95.0%

Molecular weight: 289.4

Ref: 10-F307771