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CAS 667413-38-9

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5-[(3,5-dimethylphenoxy)methyl]-4-prop-2-en-1-yl-2,4-dihydro-3H-1,2,4-triazole-3-thione

Description:
5-[(3,5-Dimethylphenoxy)methyl]-4-prop-2-en-1-yl-2,4-dihydro-3H-1,2,4-triazole-3-thione, with the CAS number 667413-38-9, 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-dimethylphenoxy group suggests that it may exhibit hydrophobic characteristics, which can influence its solubility and interaction with biological membranes. The allyl group (prop-2-en-1-yl) indicates potential for further chemical reactivity, particularly in addition reactions. This compound may be of interest in agricultural chemistry or medicinal chemistry due to its structural features, which could impart specific biological activities, such as fungicidal or herbicidal properties. However, detailed studies would be necessary to elucidate its specific applications and mechanisms of action.
Formula:C14H17N3OS
InChI:InChI=1/C14H17N3OS/c1-4-5-17-13(15-16-14(17)19)9-18-12-7-10(2)6-11(3)8-12/h4,6-8H,1,5,9H2,2-3H3,(H,16,19)
SMILES:C=CCn1c(COc2cc(C)cc(C)c2)nnc1S
Synonyms:
  • 4-Allyl-5-[(3,5-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
  • 4H-1,2,4-triazole-3-thiol, 5-[(3,5-dimethylphenoxy)methyl]-4-(2-propen-1-yl)-
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