CAS 113056-45-4

5-(4-CHLORO-PHENOXYMETHYL)-4H-[1,2,4]TRIAZOLE-3-THIOL

Description:

5-(4-Chloro-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol is a chemical compound characterized by its unique triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. The presence of a thiol group (-SH) at the 3-position of the triazole ring imparts specific reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions. The 4-chlorophenoxymethyl substituent enhances its lipophilicity and may influence its biological activity, potentially allowing for interactions with biological targets. This compound may exhibit properties such as antimicrobial or antifungal activity, which is common among triazole derivatives. Its solubility and stability can vary depending on the solvent and environmental conditions. As with many chemical substances, safety precautions should be taken when handling it, as it may pose health risks or environmental hazards. Overall, its structural features suggest potential applications in pharmaceuticals or agrochemicals, warranting further investigation into its properties and uses.

Formula: C₉H₈ClN₃OS

InChI: InChI=1/C9H8ClN3OS/c10-6-1-3-7(4-2-6)14-5-8-11-9(15)13-12-8/h1-4H,5H2,(H2,11,12,13,15)

SMILES: c1cc(ccc1Cl)OCc1nc(n[nH]1)S

Synonyms:

• 4H-1,2,4-triazole-3-thiol, 5-[(4-chlorophenoxy)methyl]-
• 5-[(4-Chlorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol
• 5-[(4-chlorophenoxy)methyl]-1,2-dihydro-3H-1,2,4-triazole-3-thione

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

CAS: 113056-45-4

Formula: C₉H₈ClN₃OS

Molecular weight: 241.6973

Ref: IN-DA00788C

5-(4-Chloro-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol

CAS: 113056-45-4

Versatile small molecule scaffold

Formula: C₉H₈ClN₃OS

Purity: Min. 95%

Molecular weight: 241.7 g/mol

Ref: 3D-NEA05645