CAS 893725-08-1

5-(3-Chlorophenyl)-2,4-dihydro-4-(4-methylphenyl)-3H-1,2,4-triazole-3-thione

Description:

5-(3-Chlorophenyl)-2,4-dihydro-4-(4-methylphenyl)-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 within the triazole framework. The compound exhibits a substitution pattern with a 3-chlorophenyl group and a 4-methylphenyl group, contributing to its potential biological activity and chemical reactivity. It is likely to be a solid at room temperature and may exhibit moderate solubility in organic solvents. The presence of the chlorine and methyl substituents can influence its lipophilicity and overall pharmacological properties. As with many triazole derivatives, this compound may possess antifungal or antimicrobial properties, making it of interest in medicinal chemistry. Safety and handling precautions should be observed, as with all chemical substances, due to potential toxicity or reactivity.

Formula: C₁₅H₁₂ClN₃S

InChI: InChI=1S/C15H12ClN3S/c1-10-5-7-13(8-6-10)19-14(17-18-15(19)20)11-3-2-4-12(16)9-11/h2-9H,1H3,(H,18,20)

InChI key: InChIKey=ONUOZTZADWJJOL-UHFFFAOYSA-N

SMILES: S=C1N(C(=NN1)C2=CC(Cl)=CC=C2)C3=CC=C(C)C=C3

Synonyms:

• 3H-1,2,4-Triazole-3-thione, 5-(3-chlorophenyl)-2,4-dihydro-4-(4-methylphenyl)-
• 5-(3-Chlorophenyl)-2,4-dihydro-4-(4-methylphenyl)-3H-1,2,4-triazole-3-thione

5-(3-Chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol

CAS: 893725-08-1

Versatile small molecule scaffold

Formula: C₁₅H₁₂ClN₃S

Purity: Min. 95%

Molecular weight: 301.8 g/mol

Ref: 3D-TKB72508