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CAS 667414-14-4

:

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

Description:
5-[1-(3-Chlorophenoxy)ethyl]-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione, with the CAS number 667414-14-4, is a chemical compound that belongs to the class of triazoles, which are five-membered heterocyclic compounds containing three nitrogen atoms. This particular 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 presence of a chlorophenoxy group suggests that it may exhibit herbicidal or fungicidal properties, making it of interest in agricultural chemistry. The compound's structure includes a propenyl group, which can enhance its lipophilicity and influence its interaction with biological targets. Its synthesis and characterization would typically involve standard organic chemistry techniques, and its properties may include solubility in organic solvents, stability under specific conditions, and potential applications in crop protection or pharmaceuticals. Further studies would be necessary to fully elucidate its biological activity and environmental impact.
Formula:C13H14ClN3OS
InChI:InChI=1S/C13H14ClN3OS/c1-3-7-17-12(15-16-13(17)19)9(2)18-11-6-4-5-10(14)8-11/h3-6,8-9H,1,7H2,2H3,(H,16,19)
InChI key:InChIKey=VRSMSCVGAYKVFE-UHFFFAOYSA-N
SMILES:C(OC1=CC(Cl)=CC=C1)(C)C=2N(CC=C)C(=S)NN2
Synonyms:
  • 3H-1,2,4-Triazole-3-thione, 5-[1-(3-chlorophenoxy)ethyl]-2,4-dihydro-4-(2-propen-1-yl)-
  • 3H-1,2,4-Triazole-3-thione, 5-[1-(3-chlorophenoxy)ethyl]-2,4-dihydro-4-(2-propenyl)-
  • 4-Allyl-5-[1-(3-chlorophenoxy)ethyl]-4H-1,2,4-triazole-3-thiol
  • 4H-1,2,4-triazole-3-thiol, 5-[1-(3-chlorophenoxy)ethyl]-4-(2-propen-1-yl)-
  • 5-[1-(3-Chlorophenoxy)ethyl]-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione
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