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<p>Having already been extensively studied due to containing two of the three most common heteroatoms, thiocarbohydrazone derivatives represent an intriguing class of compounds for many scientists. They have shown great biological activity as antioxidative, antimicrobial, and anticancer agents. In this paper, previous studies have been continued—from the series of monothiocarbohydrazones, asymmetrical bisubstituted derivatives were synthesized. Eighteen new bisthiocarbohydrazones were obtained and characterized. Purity and composition of synthesized compounds were determined with NMR (<sup>1</sup>H, <sup>13</sup>C) and FT-IR spectroscopy and elemental analysis. Six derivatives were successfully isolated in the form of single crystals, and <i>X</i>-ray analysis was applied. Intermolecular interactions were studied using multiple linear correlations based on LSER and LFER principles. In order to examine the antioxidative potential of new bisthiocarbohydrazones, the DPPH assay was used, and all compounds showed good activity. Derivatives with hydroxyl and methoxy groups, as well as those with a fluorine atom, proved to be the best antioxidant agents in this series of thiocarbohydrazones.</p>

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Synthesis, characterization, intermolecular interactions, and antioxidant activity of novel derivatives of asymmetric bisthiocarbohydrazones

  • 期刊论文

  • 发表日期：

    2025年11月23日

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  • Gorana S. Mrđan,
  • Mirjana M. Radanović,
  • Marko V. Rodić,
  • Milica G. Bogdanović,
  • Suzana Lj. Apostolov,
  • Dragana C. Mekić,
  • Borko M. Matijević

摘要

Having already been extensively studied due to containing two of the three most common heteroatoms, thiocarbohydrazone derivatives represent an intriguing class of compounds for many scientists. They have shown great biological activity as antioxidative, antimicrobial, and anticancer agents. In this paper, previous studies have been continued—from the series of monothiocarbohydrazones, asymmetrical bisubstituted derivatives were synthesized. Eighteen new bisthiocarbohydrazones were obtained and characterized. Purity and composition of synthesized compounds were determined with NMR (1H, 13C) and FT-IR spectroscopy and elemental analysis. Six derivatives were successfully isolated in the form of single crystals, and X-ray analysis was applied. Intermolecular interactions were studied using multiple linear correlations based on LSER and LFER principles. In order to examine the antioxidative potential of new bisthiocarbohydrazones, the DPPH assay was used, and all compounds showed good activity. Derivatives with hydroxyl and methoxy groups, as well as those with a fluorine atom, proved to be the best antioxidant agents in this series of thiocarbohydrazones.