CAS 35687-30-0

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

Description:

5-[(2,4-Dichlorophenoxy)methyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione, with CAS number 35687-30-0, 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 triazole ring substituted with a thione group, which contributes to its reactivity and potential biological activity. The presence of the 2,4-dichlorophenoxy group indicates that it may exhibit herbicidal or fungicidal properties, making it of interest in agricultural applications. The compound is characterized by its relatively low solubility in water, which can affect its bioavailability and environmental behavior. Additionally, its structure suggests potential interactions with biological systems, possibly influencing enzyme activity or cellular processes. Safety and handling precautions are essential due to the presence of chlorine atoms, which can pose toxicity risks. Overall, this compound's unique structure and functional groups make it a subject of interest in both synthetic chemistry and agricultural research.

Formula: C₁₀H₉Cl₂N₃OS

InChI: InChI=1S/C10H9Cl2N3OS/c1-15-9(13-14-10(15)17)5-16-8-3-2-6(11)4-7(8)12/h2-4H,5H2,1H3,(H,14,17)

InChI key: InChIKey=FRYCNHDBALZXSY-UHFFFAOYSA-N

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

Synonyms:

• 3-[(2,4-Dichlorophenoxy)methyl]-4-methyl-1H-1,2,4-triazole-5-thione
• 3H-1,2,4-Triazole-3-thione, 5-[(2,4-dichlorophenoxy)methyl]-2,4-dihydro-4-methyl-
• 4H-1,2,4-triazole-3-thiol, 5-[(2,4-dichlorophenoxy)methyl]-4-methyl-
• 5-[(2,4-Dichlorophenoxy)methyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione

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

CAS: 35687-30-0

Formula: C₁₀H₉Cl₂N₃OS

Purity: 95.0%

Molecular weight: 290.16

Ref: 10-F307774