(O(C2H4)S)2indium(III) morpholine dithiocarbamate | 419535-68-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: (O(C2H4)S)2indium(III) morpholine dithiocarbamate
• CAS: 419535-68-5
• 化学式: C₄H₈OS₂*C₅H₈NOS₂*In
• 分子量: 413.316
• InChiKey: RYEFJRKSDVUTGR-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -0.13
• 重原子数：
  17.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  21.7
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  sodium N-morpholinocarbamodithioate 、 氯化铟 、 bis(2-mercaptoethyl) ether disodium salt 以 苯 为溶剂， 以97%的产率得到(O(C2H4)S)2indium(III) morpholine dithiocarbamate
  参考文献：
  名称：

  Dithiocarbamates of gallium(III) and indium(III): syntheses, spectroscopy, and structures

  摘要：

  Several complexes of the type, [M{S2CNR}(3)] (1) (M = Ga or In; R = CH2CH2OCHCH2, CH2CH2N(Me)CH2CH2), [MCl2{S2CN(CH2CH2)(2)O}] (2) (M = Ga or In), [MCl{S2CN(CH2CH2)(2)O}(2)] (3) (M = Ga or In), [Ga{S2CN(CH2CH2) O-2}{S2P(OR)(2)}(2)] (4) (R = Et, Pr) and [M{S2CNR}{(SCH2CH2)(2)O}] (5) (M = Ga or In: R = CH2CH2OCH2CH2, CH2CH2N(Me)CH2CH2) have been prepared. All the complexes were characterized by elemental analysis, IR and NMR (H-1, C-13{H-1}) spectroscopy. Ga-71 NMR chemical shifts and half line widths are influenced by the coordination number of gallium and the substituents on the ligand moiety. Single crystal X-ray structures of two complexes [M{S2CN(CH2CH2)(2)O}(3)] (M = Ga. In) have been determined. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0277-5387(01)00990-1