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CAS 174573-98-9

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5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol

Description:
5-(4-tert-butylphenyl)-4-ethyl-4H-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 and an ethyl group, contributing to its hydrophobic characteristics and potential for various applications in organic synthesis and pharmaceuticals. The presence of the thiol (-SH) functional group indicates that it can participate in redox reactions and may exhibit antioxidant properties. Additionally, the compound's structure suggests potential interactions with biological systems, making it of interest in medicinal chemistry. Its CAS number, 174573-98-9, allows for precise identification in chemical databases. Overall, this compound's unique structural features and functional groups may lead to diverse applications in fields such as agrochemicals, pharmaceuticals, and materials science.
Formula:C14H19N3S
InChI:InChI=1/C14H19N3S/c1-5-17-12(15-16-13(17)18)10-6-8-11(9-7-10)14(2,3)4/h6-9H,5H2,1-4H3,(H,16,18)
SMILES:CCn1c(c2ccc(cc2)C(C)(C)C)nnc1S
Synonyms:
  • 4H-1,2,4-triazole-3-thiol, 5-[4-(1,1-dimethylethyl)phenyl]-4-ethyl-
  • 5-(4-tert-Butylphenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol
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