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CAS 669705-44-6

:

5-[(2,3-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol

Description:
5-[(2,3-Dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol, identified by its CAS number 669705-44-6, is a chemical compound that belongs to the class of triazoles, which are five-membered heterocyclic compounds containing three nitrogen atoms. This particular triazole derivative features a thiol group (-SH), which contributes to its reactivity and potential applications in various fields, including pharmaceuticals and agrochemicals. The presence of the 2,3-dimethylphenoxy and ethyl substituents enhances its lipophilicity and may influence its biological activity. Compounds of this nature are often studied for their antifungal, antibacterial, or herbicidal properties, owing to the triazole ring's ability to interfere with fungal cell membrane synthesis. Additionally, the thiol group can participate in redox reactions, making it a candidate for antioxidant activity. Overall, the unique structural features of this compound suggest a diverse range of potential applications in medicinal chemistry and agricultural science.
Formula:C13H17N3OS
InChI:InChI=1/C13H17N3OS/c1-4-16-12(14-15-13(16)18)8-17-11-7-5-6-9(2)10(11)3/h5-7H,4,8H2,1-3H3,(H,15,18)
SMILES:CCn1c(COc2cccc(C)c2C)nnc1S
Synonyms:
  • 4H-1,2,4-triazole-3-thiol, 5-[(2,3-dimethylphenoxy)methyl]-4-ethyl-
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