CAS 588673-54-5

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

Description:

2,4-Dihydro-4-methyl-5-[1-(3-methylphenoxy)ethyl]-3H-1,2,4-triazole-3-thione, identified by its CAS number 588673-54-5, is a chemical compound that belongs to the class of triazoles, which are five-membered heterocyclic compounds containing three nitrogen atoms. This substance features a thione functional group, indicating the presence of a sulfur atom double-bonded to a carbon atom, which contributes to its reactivity and potential biological activity. The compound's structure includes a 3-methylphenoxy group, suggesting it may exhibit hydrophobic characteristics, which can influence its solubility and interaction with biological membranes. Typically, triazoles are known for their applications in agriculture as fungicides and in pharmaceuticals for their antifungal properties. The specific arrangement of substituents in this compound may impart unique properties, making it of interest for research in agrochemicals or medicinal chemistry. As with many chemical substances, safety data and handling precautions should be consulted to ensure proper use and minimize risks associated with exposure.

Formula: C₁₂H₁₅N₃OS

InChI: InChI=1S/C12H15N3OS/c1-8-5-4-6-10(7-8)16-9(2)11-13-14-12(17)15(11)3/h4-7,9H,1-3H3,(H,14,17)

InChI key: InChIKey=NLTQFKRQWMFDAF-UHFFFAOYSA-N

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

Synonyms:

• 2,4-Dihydro-4-methyl-5-[1-(3-methylphenoxy)ethyl]-3H-1,2,4-triazole-3-thione
• 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-[1-(3-methylphenoxy)ethyl]-
• 4H-1,2,4-triazole-3-thiol, 4-methyl-5-[1-(3-methylphenoxy)ethyl]-

4-methyl-5-[1-(3-methylphenoxy)ethyl]-4H-1,2,4-triazole-3-thiol

CAS: 588673-54-5

Formula: C₁₂H₁₅N₃OS

Purity: 95.0%

Molecular weight: 249.33

Ref: 10-F307794