CAS 847503-30-4

2,4-Dihydro-4-methyl-5-(5-methyl-4-phenyl-3-thienyl)-3H-1,2,4-triazole-3-thione

Description:

2,4-Dihydro-4-methyl-5-(5-methyl-4-phenyl-3-thienyl)-3H-1,2,4-triazole-3-thione is a chemical compound characterized by its unique 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 compound also includes a thienyl group, which is derived from thiophene, enhancing its aromatic properties and possibly influencing its interactions in biological systems. The presence of methyl and phenyl substituents suggests that the compound may exhibit lipophilic characteristics, potentially affecting its solubility and permeability in biological membranes. This compound may be of interest in agricultural or pharmaceutical applications, particularly as a fungicide or herbicide, due to the triazole moiety's known efficacy in inhibiting fungal growth. However, specific biological activity, toxicity, and environmental impact would require further investigation through empirical studies.

Formula: C₁₄H₁₃N₃S₂

InChI: InChI=1S/C14H13N3S2/c1-9-12(10-6-4-3-5-7-10)11(8-19-9)13-15-16-14(18)17(13)2/h3-8H,1-2H3,(H,16,18)

InChI key: InChIKey=VVBADVQNDGSUSZ-UHFFFAOYSA-N

SMILES: CC1=C(C(=CS1)C=2N(C)C(=S)NN2)C3=CC=CC=C3

Synonyms:

• 2,4-Dihydro-4-methyl-5-(5-methyl-4-phenyl-3-thienyl)-3H-1,2,4-triazole-3-thione
• 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-(5-methyl-4-phenyl-3-thienyl)-