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CAS 588680-36-8

:

2,4-Dihydro-4-methyl-5-(1-methylethyl)-3H-1,2,4-triazole-3-thione

Description:
2,4-Dihydro-4-methyl-5-(1-methylethyl)-3H-1,2,4-triazole-3-thione, identified by its CAS number 588680-36-8, is a chemical compound belonging to the class of triazoles, which are five-membered heterocyclic compounds 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 compound is characterized by its unique structure, which includes a methyl group and an isopropyl group, influencing its physical and chemical properties. It is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. The presence of the triazole ring suggests potential biological activity, making it of interest in agricultural and pharmaceutical research, particularly as a fungicide or herbicide. Its stability, reactivity, and specific interactions with biological systems are areas of ongoing investigation, highlighting its significance in various chemical applications.
Formula:C6H11N3S
InChI:InChI=1S/C6H11N3S/c1-4(2)5-7-8-6(10)9(5)3/h4H,1-3H3,(H,8,10)
InChI key:InChIKey=GYHLFQXWXOVOKL-UHFFFAOYSA-N
SMILES:C(C)(C)C=1N(C)C(=S)NN1
Synonyms:
  • 2,4-Dihydro-4-methyl-5-(1-methylethyl)-3H-1,2,4-triazole-3-thione
  • 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-(1-methylethyl)-
  • 4H-1,2,4-triazole-3-thiol, 4-methyl-5-(1-methylethyl)-
  • 5-Isopropyl-4-methyl-4H-1,2,4-triazole-3-thiol
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