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CAS 30682-81-6

:

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

Description:
2,4-Dihydro-4-methyl-5-(trifluoromethyl)-3H-1,2,4-triazole-3-thione, identified by CAS number 30682-81-6, is a heterocyclic compound featuring a triazole ring, which is characterized by its three nitrogen atoms and two carbon atoms. This compound exhibits thione functionality, indicating the presence of a sulfur atom double-bonded to a carbon atom within the triazole structure. The trifluoromethyl group (-CF3) attached to the triazole ring enhances its lipophilicity and may influence its biological activity, making it of interest in agricultural and pharmaceutical applications. The methyl group at the 4-position contributes to the compound's overall stability and reactivity. Typically, compounds of this nature may exhibit fungicidal or herbicidal properties, although specific biological activities can vary. The presence of multiple electronegative atoms, such as fluorine and sulfur, can also affect the compound's solubility and interaction with biological targets. Overall, this compound represents a unique structure with potential applications in various fields, particularly in agrochemicals.
Formula:C4H4F3N3S
InChI:InChI=1S/C4H4F3N3S/c1-10-2(4(5,6)7)8-9-3(10)11/h1H3,(H,9,11)
InChI key:InChIKey=HUZASKHMPBJXJP-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C=1N(C)C(=S)NN1
Synonyms:
  • 2,4-Dihydro-4-methyl-5-(trifluoromethyl)-3H-1,2,4-triazole-3-thione
  • 3-Mercapto-4-methyl-5-(trifluoromethyl)-1,2,4-triazoline
  • 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-(trifluoromethyl)-
  • 4-Methyl-5-trifluoromethyl-1,2,4-triazolin-3-thione
  • 4-Methyl-5-trifluoromethyl-3-mercapto-1,2,4-triazole
  • 4-Methyl-5-trifluoromethyl-4H-[1,2,4]triazole-3-thiol
  • 4-methyl-5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
  • Δ<sup>2</sup>-1,2,4-Triazoline-5-thione, 4-methyl-3-(trifluoromethyl)-
  • Δ2-1,2,4-Triazoline-5-thione, 4-methyl-3-(trifluoromethyl)-
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