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CAS 368421-58-3

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(αR,βR)-β-(2,5-Difluorophenyl)-β-hydroxy-α-methyl-1H-1,2,4-triazole-1-butanethioamide

Description:
The chemical substance known as (αR,βR)-β-(2,5-Difluorophenyl)-β-hydroxy-α-methyl-1H-1,2,4-triazole-1-butanethioamide, with the CAS number 368421-58-3, is a triazole derivative characterized by its unique structural features, including a triazole ring and a butanethioamide functional group. This compound exhibits potential biological activity, often investigated for its role in agricultural applications, particularly as a fungicide or herbicide. The presence of the difluorophenyl group enhances its lipophilicity and may influence its interaction with biological targets. The stereochemistry indicated by the (αR,βR) configuration suggests specific spatial arrangements that can affect the compound's reactivity and biological efficacy. Additionally, the hydroxyl group contributes to its solubility and potential for hydrogen bonding, which can be crucial for its mechanism of action. Overall, this compound represents a class of agrochemicals that are designed to optimize efficacy while minimizing environmental impact. Further studies would be necessary to fully elucidate its properties and applications in various fields.
Formula:C13H14F2N4OS
InChI:InChI=1S/C13H14F2N4OS/c1-8(12(16)21)13(20,5-19-7-17-6-18-19)10-4-9(14)2-3-11(10)15/h2-4,6-8,20H,5H2,1H3,(H2,16,21)/t8-,13+/m0/s1
InChI key:InChIKey=UWVOPVUWKIHGRF-ISVAXAHUSA-N
SMILES:[C@](CN1C=NC=N1)([C@H](C(N)=S)C)(O)C2=C(F)C=CC(F)=C2
Synonyms:
  • (2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyramide
  • (αR,βR)-β-(2,5-Difluorophenyl)-β-hydroxy-α-methyl-1H-1,2,4-triazole-1-butanethioamide
  • 1H-1,2,4-Triazole-1-butanethioamide, β-(2,5-difluorophenyl)-β-hydroxy-α-methyl-, (αR,βR)-
  • (2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanethioamide
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