| 68577-95-7

• 分子结构分类: 有机化合物 - 有机杂环化合物
• CAS: 68577-95-7
• 化学式: C₅H₁₂S₂
• 分子量: 136.282
• InChiKey: VAFLMMWBKCYBCF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.45
• 重原子数：
  7.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  2,6-二硫代庚烷 在 peroxodisulfate ion 、 二甲基亚砜 作用下， 以 水 、 叔丁醇 为溶剂， 生成
  参考文献：
  名称：

  Kishore, Kamal; Asmus, Klaus-Dieter, Journal of the Chemical Society. Perkin transactions II, 1989, p. 2079 - 2084

  摘要：

  DOI：

文献信息

• Nature of 2.sigma./1.sigma.* three-electron-bonded chlorine adducts to sulfoxides
  作者：Kamal Kishore、Klaus Dieter Asmus

  DOI：10.1021/j100172a026

  日期：1991.9

  Reaction of sulfoxide radical cations, R2SO.+, with chloride ions in acidic aqueous solutions (pH less-than-or-equal-to 6) leads to optically absorbing transient R2SO therefore Cl radicals, which are characterized by a sulfur-chlorine three-electron bond containing two bonding sigma-electrons and one antibonding sigma* electron. The same species is formed upon oxidation of sulfoxides by Cl2.-, although only with relatively low rate constants. The measured lambda-max are 390, 400, and 410 nm for the R2SO therefore Cl species with R = Me, Et, and n-Pr, respectively. Equilibrium constants for R2SO.+ + Cl- reversible R2SO therefore Cl have been determined to be 560, 600, and 575 M-1, for the same respective series of species (error limit +/- 20%). It is considered that our three-electron-bonded species is identical with an electronically not further specified chlorine-atom adduct to sulfoxide, R2SO(Cl)., observed earlier in sulfoxide-containing solutions of carbon tetrachloride and dichloromethane. The R2SO therefore Cl exhibit oxidizing properties and are shown to oxidize, for example, organic sulfides and disulfides (rate constants on the order of 10(8) M-1 s-1) or SCN-(rate constants on the order of 10(9) M-1 s-1). The optical and kinetic results are discussed in light of the electronic properties of the radical species.