CAS 31405-23-9

5-[(4-Chlorophenyl)methyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

Description:

5-[(4-Chlorophenyl)methyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is a chemical compound characterized by its triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. This substance features a thione functional group, indicating the presence of a sulfur atom double-bonded to a carbon atom, contributing to its reactivity and potential biological activity. The presence of a 4-chlorobenzyl group enhances its lipophilicity, which may influence its interaction with biological targets. The ethyl substituent at the 4-position of the triazole ring can affect the compound's solubility and stability. This compound may exhibit various pharmacological properties, making it of interest in medicinal chemistry and agricultural applications. Its CAS number, 31405-23-9, allows for easy identification and retrieval of information regarding its safety, handling, and regulatory status. Overall, the unique structural features of this compound suggest potential utility in various chemical and biological contexts.

Formula: C₁₁H₁₂ClN₃S

InChI: InChI=1S/C11H12ClN3S/c1-2-15-10(13-14-11(15)16)7-8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3,(H,14,16)

InChI key: InChIKey=MHQJBBXIVRRAOJ-UHFFFAOYSA-N

SMILES: C(C=1N(CC)C(=S)NN1)C2=CC=C(Cl)C=C2

Synonyms:

• 3H-1,2,4-Triazole-3-thione, 5-[(4-chlorophenyl)methyl]-4-ethyl-2,4-dihydro-
• 4H-1,2,4-Triazole-3-thiol, 5-(p-chlorobenzyl)-4-ethyl-
• 3-[(4-Chlorophenyl)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione
• 5-[(4-Chlorophenyl)methyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

5-(4-chlorobenzyl)-4-ethyl-4H-1,2,4-triazole-3-thiol

CAS: 31405-23-9

Formula: C₁₁H₁₂ClN₃S

Purity: 95.0%

Molecular weight: 253.75

Ref: 10-F307726