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CAS 69480-15-5

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5-[4-(tert-butyl)phenyl]-1H-1,2,4-triazole-3-thiol

Description:
5-[4-(tert-butyl)phenyl]-1H-1,2,4-triazole-3-thiol is a chemical compound characterized by its triazole ring, which is a five-membered heterocyclic structure containing three nitrogen atoms. This compound features a tert-butyl group attached to a phenyl ring, contributing to its hydrophobic properties and potentially influencing its solubility and reactivity. The presence of a thiol (-SH) group is significant, as it can participate in various chemical reactions, including nucleophilic substitutions and redox reactions, making the compound useful in various applications, such as in pharmaceuticals or as a ligand in coordination chemistry. The molecular structure suggests that it may exhibit interesting biological activities, possibly acting as an antioxidant or a metal chelator. Additionally, the compound's stability and reactivity can be influenced by the steric effects of the tert-butyl group and the electronic properties of the triazole and thiol functionalities. Overall, this compound's unique structure and functional groups make it a subject of interest in both synthetic and medicinal chemistry.
Formula:C12H15N3S
InChI:InChI=1/C12H15N3S/c1-12(2,3)9-6-4-8(5-7-9)10-13-11(16)15-14-10/h4-7H,1-3H3,(H2,13,14,15,16)
SMILES:CC(C)(C)c1ccc(cc1)c1nc([nH]n1)S
Synonyms:
  • 5-(4-tert-butylphenyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione
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