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CAS 667435-97-4

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

Description:
5-[(4-Ethylphenoxy)methyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione is a chemical compound characterized by its triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. This substance features a thione functional group, indicating the presence of a sulfur atom double-bonded to a carbon atom within the triazole framework. The ethylphenoxy group contributes to its lipophilicity and potential biological activity, making it of interest in medicinal chemistry. The compound's structure suggests it may exhibit various pharmacological properties, possibly including antifungal or herbicidal activities, as triazole derivatives are often explored for such applications. Its molecular interactions can be influenced by the presence of the ethylphenoxy substituent, which may enhance its solubility and bioavailability. As with many organic compounds, its stability, reactivity, and potential applications can be further understood through detailed studies, including spectroscopic analysis and biological assays. Safety and handling precautions should be observed due to the presence of sulfur and nitrogen in its structure.
Formula:C12H15N3OS
InChI:InChI=1S/C12H15N3OS/c1-3-9-4-6-10(7-5-9)16-8-11-13-14-12(17)15(11)2/h4-7H,3,8H2,1-2H3,(H,14,17)
InChI key:InChIKey=YHIVGGHVQQBYNR-UHFFFAOYSA-N
SMILES:C(OC1=CC=C(CC)C=C1)C=2N(C)C(=S)NN2
Synonyms:
  • 3H-1,2,4-Triazole-3-thione, 5-[(4-ethylphenoxy)methyl]-2,4-dihydro-4-methyl-
  • 4H-1,2,4-triazole-3-thiol, 5-[(4-ethylphenoxy)methyl]-4-methyl-
  • 5-[(4-Ethylphenoxy)methyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione
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