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CAS 494194-50-2

:

5-(4-bromophenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

Description:
5-(4-bromophenyl)-4-methyl-2,4-dihydro-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 bromophenyl group, which contributes to its potential biological activity and lipophilicity. The presence of a thione functional group (–C=S) indicates that it may exhibit properties similar to thioketones, potentially influencing its reactivity and interactions with other molecules. The compound is likely to be a solid at room temperature, with moderate solubility in organic solvents, depending on the specific substituents and their electronic effects. Its structure suggests potential applications in pharmaceuticals or agrochemicals, particularly due to the presence of the triazole moiety, which is known for its antifungal and antimicrobial properties. Additionally, the bromine substituent may enhance the compound's reactivity or selectivity in various chemical reactions. Overall, this compound represents a unique combination of features that may be explored for various applications in medicinal chemistry and materials science.
Formula:C9H8BrN3S
InChI:InChI=1/C9H8BrN3S/c1-13-8(11-12-9(13)14)6-2-4-7(10)5-3-6/h2-5H,1H3,(H,12,14)
SMILES:Cn1c(c2ccc(cc2)Br)nnc1S
Synonyms:
  • 4H-1,2,4-Triazole-3-thiol, 5-(4-bromophenyl)-4-methyl-
  • 5-(4-Bromophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
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