heptathionate | 31294-90-3

• 英文名称: heptathionate
• CAS: 31294-90-3
• 化学式: O₆S₇
• 分子量: 320.458
• InChiKey: DUQUJLZNFUBYKD-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  1.23
• 重原子数：
  13.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  114.4
• 氢给体数：
  0.0
• 氢受体数：
  11.0

反应信息

• 作为产物：
  描述：

  双氧水 、 thiosulfate(2-) 以 further solvent(s) 为溶剂， 生成 heptathionate 、 硫酸酯 、 tetrathionate
  参考文献：
  名称：

  Oxygen−Sulfur Species Distribution and Kinetic Analysis in the Hydrogen Peroxide−Thiosulfate System

  摘要：

  We have carried out species determination and kinetic analysis in the hydrogen peroxide-thiosulfate reaction by means of capillary electrophoresis and high performance liquid chromatography. In addition to thiosulfate, dithionate, trithionate, and tetrathionate, other polythionates such as pentathionate and hexathionate were detected during the oxidation process. The polythionates found are sensitive to the pH, with the average length of the sulfur chain decreasing with increasing pH. By varying the pH and the concentrations of the reactants, we find that the reaction is first order with respect to each of the reactants with rate constant k = 0.025 M-1 s(-1). With HOS2O3-, HSO3-/SO32-, S3O62-, S4O62-, and S5O62- as key intermediates that are eventually oxidized to sulfate, a proposed 14-step kinetic model simulates the reaction process, including the evolution of the thiosulfate and tetrathionate concentrations at various pHs.

  DOI：

  10.1021/ic100573a