1-[(7-nitro-1H-indol-2-yl)carbonyl]thiosemicarbazide | 948914-04-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 1-[(7-nitro-1H-indol-2-yl)carbonyl]thiosemicarbazide
• 英文别名: [(7-nitro-1H-indole-2-carbonyl)amino]thiourea
• CAS: 948914-04-3
• 化学式: C₁₀H₉N₅O₃S
• 分子量: 279.279
• InChiKey: CPYBCTYDXHPHLA-UHFFFAOYSA-N

物化性质

• 熔点：
  224-226 °C
• 密度：
  1.628±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  161
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-[(7-nitro-1H-indol-2-yl)carbonyl]thiosemicarbazide 、 6-bromo-3-(2-bromoacetyl)-2H-chromen-2-one 以 甲醇 为溶剂， 以88%的产率得到N'-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-7-nitro-1H-indole-2-carbohydrazide
  参考文献：
  名称：

  Synthesis and Biological Activity of Novel 4-/5-/6-/7-Nitro-N ′-(4-Aryl-1,3-Thiazol-2-yl)1H-Indole-2-Carbohydrazide Derivatives

  摘要：

  New 4-/5-/6-/7-nitro-N'-(4-aryl-1,3-thiazol-2-yl)-1H-indole-2-carbohydrazides (4a-t) were prepared by treating respective nitroindole thiosemicarbazide with aromatic acylbromides. The newly synthesized compounds were characterized by analytical and spectral data. The compounds were also screened for antifungal and antibacterial activity. Some of the compounds exhibited promising antimicrobial activity.

  DOI：

  10.1080/10426500600864684
• 作为产物：
  描述：

  potassium thioacyanate 、 7-nitro-1H-indole-2-carbohydrazide 在 盐酸 作用下， 以80%的产率得到1-[(7-nitro-1H-indol-2-yl)carbonyl]thiosemicarbazide
  参考文献：
  名称：

  Synthesis and Biological Activity of Novel 4-/5-/6-/7-Nitro-N ′-(4-Aryl-1,3-Thiazol-2-yl)1H-Indole-2-Carbohydrazide Derivatives

  摘要：

  New 4-/5-/6-/7-nitro-N'-(4-aryl-1,3-thiazol-2-yl)-1H-indole-2-carbohydrazides (4a-t) were prepared by treating respective nitroindole thiosemicarbazide with aromatic acylbromides. The newly synthesized compounds were characterized by analytical and spectral data. The compounds were also screened for antifungal and antibacterial activity. Some of the compounds exhibited promising antimicrobial activity.

  DOI：

  10.1080/10426500600864684