CAS 724749-07-9

2,4-Dihydro-4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-3H-1,2,4-triazole-3-thione

Description:

2,4-Dihydro-4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-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 trifluoromethyl group attached to the phenoxy moiety enhances the lipophilicity and biological activity of the compound, making it of interest in agricultural and pharmaceutical applications. Its molecular structure suggests potential uses as a fungicide or herbicide, given the triazole's known role in inhibiting fungal sterol biosynthesis. The compound's stability, solubility, and reactivity can be influenced by the presence of the trifluoromethyl group and the thione functionality. Overall, this compound represents a unique combination of features that may contribute to its effectiveness in various applications, particularly in crop protection and possibly in medicinal chemistry.

Formula: C₁₁H₁₀F₃N₃OS

InChI: InChI=1/C11H10F3N3OS/c1-17-9(15-16-10(17)19)6-18-8-4-2-3-7(5-8)11(12,13)14/h2-5H,6H2,1H3,(H,16,19)

InChI key: InChIKey=JAZIJYVOLZZRKK-UHFFFAOYSA-N

SMILES: C(OC1=CC(C(F)(F)F)=CC=C1)C=2N(C)C(=S)NN2

Synonyms:

• 2,4-Dihydro-4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-3H-1,2,4-triazole-3-thione
• 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-

4-methyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol

CAS: 724749-07-9

Formula: C₁₁H₁₀F₃N₃OS

Purity: 95.0%

Molecular weight: 289.28

Ref: 10-F307752