isatin 3-(N(4)-propylthiosemicarbazone) | 166413-39-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: isatin 3-(N(4)-propylthiosemicarbazone)
• 英文别名: 1-[(2-oxoindol-3-yl)amino]-3-propylthiourea
• CAS: 166413-39-4
• 化学式: C₁₂H₁₄N₄OS
• 分子量: 262.335
• InChiKey: YYUDTTWFQOUTKW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  97.6
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  isatin 3-(N(4)-propylthiosemicarbazone) 、 copper dichloride 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Synthetic and spectroscopic investigations of N(4)-substituted isatin thiosemicarbazones and their copper(II) complexes

  摘要：

  A series of N(4)-substituted thiosemicarbazones of isatin were synthesized and their copper(II) complexes prepared from copper(II) chloride. X-ray crystal structures of two of the thiosemicarbazones, isatin 3-(hexamethylenimylthiosemicarbazone) and isatin 3-(N(4)-ethylthiosemicarbazone), have been solved and are compared with a previously published structure of isatin 3-(N(4)-p-tolythiosemicarbazone). The coordination chemistry of the copper(II) complexes of these and other isatin thiosemicarbazones is reported and discussed. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0277-5387(96)00323-3