CAS 956576-80-0

5-[3-(4-Chloro-2-methylphenoxy)propyl]-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione

Description:

5-[3-(4-Chloro-2-methylphenoxy)propyl]-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione is a chemical compound characterized by its complex structure, which includes a triazole ring, a thione functional group, and a phenoxypropyl moiety. This compound typically exhibits properties associated with triazoles, such as potential fungicidal or herbicidal activity, making it of interest in agricultural chemistry. The presence of the chloro and methyl substituents on the aromatic ring can influence its biological activity and solubility. Additionally, the propenyl group may contribute to its reactivity and interaction with biological targets. The compound's molecular weight, solubility in various solvents, and stability under different conditions are essential characteristics that determine its practical applications. As with many synthetic organic compounds, safety data, including toxicity and environmental impact, should be considered when handling or utilizing this substance. Overall, this compound represents a class of chemicals that may have significant utility in crop protection or related fields.

Formula: C₁₅H₁₈ClN₃OS

InChI: InChI=1S/C15H18ClN3OS/c1-3-8-19-14(17-18-15(19)21)5-4-9-20-13-7-6-12(16)10-11(13)2/h3,6-7,10H,1,4-5,8-9H2,2H3,(H,18,21)

InChI key: InChIKey=PYMZETVFYHQEEW-UHFFFAOYSA-N

SMILES: C(C=C)N1C(CCCOC2=C(C)C=C(Cl)C=C2)=NNC1=S

Synonyms:

• 3H-1,2,4-Triazole-3-thione, 5-[3-(4-chloro-2-methylphenoxy)propyl]-2,4-dihydro-4-(2-propen-1-yl)-
• 5-[3-(4-Chloro-2-methylphenoxy)propyl]-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione
• 4-Allyl-5-[3-(4-chloro-2-methylphenoxy)propyl]-4H-1,2,4-triazole-3-thiol
• 3-[3-(4-chloro-2-methylphenoxy)propyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione