CAS 667414-15-5

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

Description:

5-[(2-Chloro-4-fluorophenoxy)methyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is a chemical compound characterized by its unique triazole structure, which includes a thione functional group. This compound features a chloro and fluorine substituent on a phenoxy group, contributing to its potential biological activity. The presence of the ethyl group and the triazole ring suggests that it may exhibit interesting pharmacological properties, possibly acting as a fungicide or herbicide. The thione group can enhance the compound's reactivity and stability, making it suitable for various applications in agrochemicals or pharmaceuticals. Its molecular structure allows for interactions with biological targets, which may lead to specific therapeutic effects. The compound's CAS number, 667414-15-5, facilitates its identification in chemical databases, aiding researchers in accessing relevant information regarding its synthesis, properties, and potential uses. Overall, this compound exemplifies the complexity and diversity of modern synthetic chemistry, particularly in the development of agrochemical agents.

Formula: C₁₁H₁₁ClFN₃OS

InChI: InChI=1S/C11H11ClFN3OS/c1-2-16-10(14-15-11(16)18)6-17-9-4-3-7(13)5-8(9)12/h3-5H,2,6H2,1H3,(H,15,18)

InChI key: InChIKey=OIZMNXGLWAGLHD-UHFFFAOYSA-N

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

Synonyms:

• 5-[(2-Chloro-4-fluorophenoxy)methyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
• 3H-1,2,4-Triazole-3-thione, 5-[(2-chloro-4-fluorophenoxy)methyl]-4-ethyl-2,4-dihydro-

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

CAS: 667414-15-5

Formula: C₁₁H₁₁ClFN₃OS

Purity: 95.0%

Molecular weight: 287.74

Ref: 10-F307781