CAS 956576-81-1

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

Description:

5-[1-(2,5-Dichlorophenoxy)ethyl]-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione, with CAS number 956576-81-1, is a chemical compound that belongs to the class of triazoles, which are five-membered heterocyclic compounds containing three nitrogen atoms. This specific triazole derivative features a thione functional group, which is characterized by the presence of a sulfur atom double-bonded to a carbon atom. The compound exhibits a complex structure due to the presence of a dichlorophenoxyethyl group and an allyl substituent, which may influence its biological activity and solubility. Such compounds are often investigated for their potential applications in agriculture, particularly as fungicides or herbicides, due to their ability to interact with specific biological pathways in plants or pathogens. The presence of halogen atoms, such as chlorine, can enhance the compound's stability and efficacy. Overall, this compound's unique structure suggests potential utility in various chemical and agricultural applications, warranting further research into its properties and effects.

Formula: C₁₃H₁₃Cl₂N₃OS

InChI: InChI=1S/C13H13Cl2N3OS/c1-3-6-18-12(16-17-13(18)20)8(2)19-11-7-9(14)4-5-10(11)15/h3-5,7-8H,1,6H2,2H3,(H,17,20)

InChI key: InChIKey=HCUPGODPZSFEIH-UHFFFAOYSA-N

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

Synonyms:

• 3H-1,2,4-Triazole-3-thione, 5-[1-(2,5-dichlorophenoxy)ethyl]-2,4-dihydro-4-(2-propen-1-yl)-
• 5-[1-(2,5-Dichlorophenoxy)ethyl]-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione