CAS 588673-50-1

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

Description:

5-[(4-tert-butylphenoxy)methyl]-4-methyl-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 functional group (-SH) that contributes to its reactivity and potential applications in various fields, including agriculture and pharmaceuticals. The presence of the tert-butylphenoxy group enhances its lipophilicity, which may influence its biological activity and solubility in organic solvents. The methyl group at the 4-position of the triazole ring can also affect the compound's electronic properties and steric hindrance. Overall, this compound may exhibit properties such as fungicidal or herbicidal activity, making it of interest in agrochemical research. Its specific characteristics, including melting point, solubility, and stability, would typically be determined through experimental methods and may vary based on environmental conditions. As with many chemical substances, safety data and handling precautions are essential for its use in laboratory or industrial settings.

Formula: C₁₄H₁₉N₃OS

InChI: InChI=1/C14H19N3OS/c1-14(2,3)10-5-7-11(8-6-10)18-9-12-15-16-13(19)17(12)4/h5-8H,9H2,1-4H3,(H,16,19)

SMILES: CC(C)(C)c1ccc(cc1)OCc1nnc(n1C)S

Synonyms:

• 4H-1,2,4-triazole-3-thiol, 5-[[4-(1,1-dimethylethyl)phenoxy]methyl]-4-methyl-

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

CAS: 588673-50-1

Formula: C₁₄H₁₉N₃OS

Purity: 95.0%

Molecular weight: 277.39

Ref: 10-F307772