CAS 93073-15-5

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

Description:

4-Amino-5-[(4-chlorophenyl)methyl]-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 an amino group and a thione functional group, contributing to its reactivity and potential biological activity. The presence of the 4-chlorophenylmethyl group indicates that it has a chlorinated aromatic moiety, which can influence its lipophilicity and interaction with biological targets. The compound is likely to exhibit properties such as antimicrobial or antifungal activity, common among triazole derivatives. Its molecular structure suggests it may participate in hydrogen bonding due to the amino and thione groups, affecting its solubility and stability. Additionally, the compound's CAS number, 93073-15-5, allows for easy identification in chemical databases, facilitating research and application in various fields, including pharmaceuticals and agrochemicals. Overall, this compound's unique structure and functional groups make it a subject of interest in medicinal chemistry.

Formula: C₉H₉ClN₄S

InChI: InChI=1S/C9H9ClN4S/c10-7-3-1-6(2-4-7)5-8-12-13-9(15)14(8)11/h1-4H,5,11H2,(H,13,15)

InChI key: InChIKey=KXSQSDHGSAZIEO-UHFFFAOYSA-N

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

Synonyms:

• 3H-1,2,4-Triazole-3-thione, 4-amino-5-[(4-chlorophenyl)methyl]-2,4-dihydro-
• 4-Amino-5-[(4-chlorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione