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CAS 38449-51-3

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

Description:
5-(1,1-Dimethylethyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione, with the CAS number 38449-51-3, 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 thione functional group, indicating the presence of a sulfur atom double-bonded to a carbon atom, which contributes to its reactivity and potential applications. The presence of the bulky 1,1-dimethylethyl group enhances its steric properties, influencing its interactions and solubility in various solvents. This compound is often studied for its potential biological activities, including antifungal and herbicidal properties, making it of interest in agricultural chemistry. Its stability and reactivity can be affected by environmental conditions, and it may undergo various chemical transformations. Overall, the unique structural features of this compound make it a subject of interest in both synthetic and applied chemistry.
Formula:C6H11N3S
InChI:InChI=1S/C6H11N3S/c1-6(2,3)4-7-5(10)9-8-4/h1-3H3,(H2,7,8,9,10)
InChI key:InChIKey=HKLNUWXQCMKCNX-UHFFFAOYSA-N
SMILES:C(C)(C)(C)C=1NC(=S)NN1
Synonyms:
  • 3-tert-Butyl-4,5-dihydro-1H-1,2,4-triazole-5-thione
  • 3-tert-Butyl-4H-1,2,4-triazoline-5-thione
  • 3-tert-Butyl-5-mercapto-1H-1,2,4-triazole
  • 3H-1,2,4-Triazole-3-thione, 5-(1,1-dimethylethyl)-1,2-dihydro-
  • 5-(1,1-Dimethylethyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione
  • 5-tert-butyl-1,2-dihydro-3H-1,2,4-triazole-3-thione
  • 3-tert-Butyl-1H-1,2,4-triazole-5-thiol
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