| 71582-36-0

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• CAS: 71582-36-0
• 化学式: C₁₀H₁₈NiO₂S₄
• 分子量: 357.206
• InChiKey: CSZWWCGRJQXMTI-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  4.57
• 重原子数：
  17.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  、 O-仲-丁基二硫代碳酸钾 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Choudhury, Suranjan Bhanja; Ray, Debashis; Chakravorty, Animesh, Inorganic Chemistry, 1990, vol. 29, # 23, p. 4603 - 4611

  摘要：

  DOI：
• 作为产物：
  描述：

  tetraethylammonium tris(sec-butyl xanthato)nickelate(II) 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Choudhury, Suranjan Bhanja; Ray, Debashis; Chakravorty, Animesh, Inorganic Chemistry, 1990, vol. 29, # 23, p. 4603 - 4611

  摘要：

  DOI：

文献信息

• Copper(II) and Nickel(II) Alkylxanthate Complexes (R = C₂H₅, i-C₃H₇, i-C₄H₉, s-C₄H₉, and C₅H₁₁): EPR and Solid-State¹³C CP/MAS NMR Studies
  作者：A. V. Ivanov、O. A. Bredyuk、O. N. Antzutkin、W. Forsling

  DOI：10.1023/b:ruco.0000034788.80316.d5

  日期：2004.7

  Alkylxanthate complexes of the general formula [MS(S)COR}(2)] (M = Ni, Cu-63, and Cu-65; R C2H5, i-C3H7, i-C4H9, s-C4H9, and C5H11) were synthesized and studied by EPR and high-resolution solid-state C-13 CP/MAS NMR. In the copper(II) complexes stabilized in the matrix of nickel(II) compounds, square planar chromophores [CuS4] are characterized by rhombic distortion (EPR data). Experimental EPR spectra were simulated at the second order of perturbation theory. Nickel(II) complexes were characterized by C-13 NMR spectra. In all cases, the -OC(S)S- groups were found to exhibit intramolecular structural equivalence.