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CAS 669740-12-9

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

Description:
5-[(3,4-Dimethylphenoxy)methyl]-4-prop-2-en-1-yl-2,4-dihydro-3H-1,2,4-triazole-3-thione, with CAS number 669740-12-9, is a chemical compound characterized by its unique triazole structure, which incorporates a thione functional group. This compound features a prop-2-en-1-yl group and a 3,4-dimethylphenoxy moiety, contributing to its potential biological activity. The presence of the triazole ring suggests that it may exhibit properties relevant to pharmaceuticals, particularly in antifungal or antimicrobial applications. The thione group can enhance the compound's reactivity and interaction with biological targets. Additionally, the substitution patterns on the aromatic ring may influence its solubility, stability, and overall pharmacokinetic properties. As with many triazole derivatives, this compound may also be of interest in agricultural chemistry for its potential use as a fungicide or herbicide. However, specific data regarding its toxicity, environmental impact, and detailed biological activity would require further investigation and empirical studies.
Formula:C14H17N3OS
InChI:InChI=1/C14H17N3OS/c1-4-7-17-13(15-16-14(17)19)9-18-12-6-5-10(2)11(3)8-12/h4-6,8H,1,7,9H2,2-3H3,(H,16,19)
SMILES:C=CCn1c(COc2ccc(C)c(C)c2)nnc1S
Synonyms:
  • 4-Allyl-5-[(3,4-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
  • 4H-1,2,4-triazole-3-thiol, 5-[(3,4-dimethylphenoxy)methyl]-4-(2-propen-1-yl)-
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