N-Cyclooctyl-2-[(5-nitrothiophen-2-yl)methylidene]hydrazine-1-carbothioamide | 630126-68-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: N-Cyclooctyl-2-[(5-nitrothiophen-2-yl)methylidene]hydrazine-1-carbothioamide
• 英文别名: 1-cyclooctyl-3-[(5-nitrothiophen-2-yl)methylideneamino]thiourea
• CAS: 630126-68-0
• 化学式: C₁₄H₂₀N₄O₂S₂
• 分子量: 340.47
• InChiKey: NIFWEXJELOYZOY-UHFFFAOYSA-N

物化性质

• 熔点：
  183 °C (decomp)(Solv: methanol (67-56-1))
• 沸点：
  484.7±55.0 °C(Predicted)
• 密度：
  1.39±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  143
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5-硝基噻吩-2-甲醛 、 N-cyclooctylhydrazinecarbothioamide 以 乙醇 、 水 为溶剂， 反应 3.0h， 以52%的产率得到N-Cyclooctyl-2-[(5-nitrothiophen-2-yl)methylidene]hydrazine-1-carbothioamide
  参考文献：
  名称：

  New palladium(II) complexes of 5-nitrothiophene-2-carboxaldehyde thiosemicarbazones

  摘要：

  Thiosemicarbazones (1-7) and their palladium(11) complexes (1a-7a) of the type [Pd(TSCN)Cl-2] (where TSCN = thiosemicarbazone) were prepared from 5-nitro thiophene-2-carboxaldehyde and [Pd(DMSO)(2)Cl-2], respectively. Coordination via the thionic sulphur and the azomethine nitrogen atom of the thiosemicarbazones to the metal ion were confirmed by spectral data. These compounds were screened in vitro against (HK-9) strain of Entamoeba histolytica possess amoebicidal properties. Enhancement of antiamoebic activity resulted due to the introduction of palladium metal in the thiosemicarbazone moiety. The most promising of the group tested are [Pd(5-N-2-TCA-COTSCN)Cl-2] and [Pd(5-N-2-TCA-AdmTSCN)Cl-2] comparable to that of metronidazole. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00213-x

文献信息

• New palladium(II) complexes of 5-nitrothiophene-2-carboxaldehyde thiosemicarbazones
  作者：Neelam Bharti、Shailendra、Sangita Sharma、Fehmida Naqvi、Amir Azam

  DOI：10.1016/s0968-0896(03)00213-x

  日期：2003.7

  Thiosemicarbazones (1-7) and their palladium(11) complexes (1a-7a) of the type [Pd(TSCN)Cl-2] (where TSCN = thiosemicarbazone) were prepared from 5-nitro thiophene-2-carboxaldehyde and [Pd(DMSO)(2)Cl-2], respectively. Coordination via the thionic sulphur and the azomethine nitrogen atom of the thiosemicarbazones to the metal ion were confirmed by spectral data. These compounds were screened in vitro against (HK-9) strain of Entamoeba histolytica possess amoebicidal properties. Enhancement of antiamoebic activity resulted due to the introduction of palladium metal in the thiosemicarbazone moiety. The most promising of the group tested are [Pd(5-N-2-TCA-COTSCN)Cl-2] and [Pd(5-N-2-TCA-AdmTSCN)Cl-2] comparable to that of metronidazole. (C) 2003 Elsevier Science Ltd. All rights reserved.