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CAS 667413-04-9

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

Description:
5-[1-(3,5-Dimethylphenoxy)ethyl]-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione, with CAS number 667413-04-9, is a chemical compound characterized by its triazole core, which is a five-membered ring containing three nitrogen atoms. This compound features a thione functional group, indicating the presence of a sulfur atom double-bonded to a carbon atom, contributing to its reactivity and potential biological activity. The presence of the 3,5-dimethylphenoxyethyl substituent suggests that it may exhibit hydrophobic characteristics, which can influence its solubility and interaction with biological membranes. The propenyl group attached to the triazole ring may also impart unique reactivity, making it a candidate for various chemical transformations. Overall, this compound's structure suggests potential applications in pharmaceuticals or agrochemicals, particularly in areas where triazole derivatives are known for their fungicidal or herbicidal properties. Further studies would be necessary to elucidate its specific biological activities and potential uses.
Formula:C15H19N3OS
InChI:InChI=1S/C15H19N3OS/c1-5-6-18-14(16-17-15(18)20)12(4)19-13-8-10(2)7-11(3)9-13/h5,7-9,12H,1,6H2,2-4H3,(H,17,20)
InChI key:InChIKey=UUFKAPQFGWNOPJ-UHFFFAOYSA-N
SMILES:C(OC1=CC(C)=CC(C)=C1)(C)C=2N(CC=C)C(=S)NN2
Synonyms:
  • 3H-1,2,4-Triazole-3-thione, 5-[1-(3,5-dimethylphenoxy)ethyl]-2,4-dihydro-4-(2-propen-1-yl)-
  • 3H-1,2,4-Triazole-3-thione, 5-[1-(3,5-dimethylphenoxy)ethyl]-2,4-dihydro-4-(2-propenyl)-
  • 4-Allyl-5-[1-(3,5-dimethylphenoxy)ethyl]-4H-1,2,4-triazole-3-thiol
  • 4H-1,2,4-triazole-3-thiol, 5-[1-(3,5-dimethylphenoxy)ethyl]-4-(2-propen-1-yl)-
  • 5-[1-(3,5-Dimethylphenoxy)ethyl]-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione
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