1-phenyl-3-(isopropyl)-5-(benzothiazol-2-yl)formazan | 301318-92-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 1-phenyl-3-(isopropyl)-5-(benzothiazol-2-yl)formazan
• 英文别名: 1-phenyl-3-isopropyl-5-(2-benzothiazolyl)formazan；1-phenyl-3-isopropyl-5-(benzothiazole-2-yl)formazane
• CAS: 301318-92-3
• 化学式: C₁₇H₁₇N₅S
• 分子量: 323.421
• InChiKey: BTDUJVCGFGZGSH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.46
• 重原子数：
  23.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  62.0
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  1-phenyl-3-(isopropyl)-5-(benzothiazol-2-yl)formazan 、 cobalt(II) chloride 以 丙酮 为溶剂， 以47%的产率得到cobalt(II) 1-phenyl-3-isopropyl-5-(benzothiazol-2-yl)formazanate
  参考文献：
  名称：

  Synthesis and structure of cobalt(II) 1-aryl-3-aryl(alkyl)-5-(benzothiazol-2-yl)formazanates

  摘要：

  New mono- and binuclear cobalt(II) complexes based on 1-aryl-3-aryl(alkyl)-5-(benzothiazol-2-yl)formazans were synthesized. The structure of the synthesized compounds was determined by electronic and IR absorption spectroscopy, mass spectrometry, and X-ray crystallography.

  DOI：

  10.1134/s0036023609030115

文献信息

• Brown, David A.; Boegge; Lipunova, Inorganica Chimica Acta, 1998, vol. 280, # 1-2, p. 30 - 38
  作者：Brown, David A.、Boegge、Lipunova、Mueller、Plass、Walsh

  DOI：——

  日期：——
• Synthesis and spectroscopic features of iron(II) 1-aryl-5-benzothiazol-2-ylformazanates
  作者：Yu. A. Gorbatenko、Z. G. Rezinskikh、G. N. Lipunova、I. G. Pervova、T. I. Maslakova、P. A. Slepukhin、I. N. Lipunov

  DOI：10.1134/s1070427208120161

  日期：2008.12

  New iron(II) coordination compounds with 1-aryl-5-(benzothiazol-2-yl)formazans were prepared. Their compositions and structures were determined by electronic spectroscopy, mass spectrometry, single crystal X-ray diffraction analysis, and magnetochemical measurements.
• Synthesis and spectral characteristics of Ni(II) 1-aryl-3-aryl(alkyl)-5-(benzothiazole-2-yl)formazanates
  作者：Z. G. Rezinskikh、I. G. Pervova、G. N. Lipunova、T. I. Maslakova、Yu. A. Gorbatenko、I. N. Lipunov、G. I. Sigeikin

  DOI：10.1134/s1070328408090054

  日期：2008.9

  Novel mono-and binuclear metal complexes of Ni(II) based on 1-aryl-3-aryl(alkyl)-5-(benzothiazole-2-yl)formazanes were synthesized and their structures were studied by the electronic and IR spectroscopy, mass spectrometry and megnetochemical methods.