thiobenzoylhydrazone 2-(N-tosyl-amino)benzaldehyde | 1450999-09-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: thiobenzoylhydrazone 2-(N-tosyl-amino)benzaldehyde
• 英文别名: 2-(N-tosylamino)benzaldehyde thiobenzoylhydrazone；N-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methylideneamino]benzenecarbothioamide
• CAS: 1450999-09-3
• 化学式: C₂₁H₁₉N₃O₂S₂
• 分子量: 409.533
• InChiKey: NAZSTUSRMVERFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  111
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  thiobenzoylhydrazone 2-(N-tosyl-amino)benzaldehyde 在 氧气 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  2-(N-tosylamino)benzaldehyde thiobenzoylhydrazone and its complexes with copper(II) and zinc(II): Synthesis and structures

  摘要：

  2-(N-Tosylamino)benzaldehyde thiobenzoylhydrazone and its copper(II) and zinc(II) complexes with dimethylformamide (DMF) and methanol, [CuL(DMF)] and [ZnL(CH3OH)], respectively, were synthesized. The structures of the copper(II) complex and the cyclic product of hydrazone oxidation (1,3,4-thiadiazole derivative) were determined by X-ray diffraction analysis.

  DOI：

  10.1134/s107032841304009x
• 作为产物：
  描述：

  N-(2-甲酰基苯基)-4-甲基苯磺酰胺 、 苯硫代甲酰肼 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以55%的产率得到thiobenzoylhydrazone 2-(N-tosyl-amino)benzaldehyde
  参考文献：
  名称：

  2-(N-tosylamino)benzaldehyde thiobenzoylhydrazone and its complexes with copper(II) and zinc(II): Synthesis and structures

  摘要：

  2-(N-Tosylamino)benzaldehyde thiobenzoylhydrazone and its copper(II) and zinc(II) complexes with dimethylformamide (DMF) and methanol, [CuL(DMF)] and [ZnL(CH3OH)], respectively, were synthesized. The structures of the copper(II) complex and the cyclic product of hydrazone oxidation (1,3,4-thiadiazole derivative) were determined by X-ray diffraction analysis.

  DOI：

  10.1134/s107032841304009x