sulfanyl thiohypochlorite | 39594-91-7

• 英文名称: sulfanyl thiohypochlorite
• CAS: 39594-91-7
• 化学式: ClS₂
• 分子量: 99.585
• InChiKey: ASGYIKBYZKQKJC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.68
• 重原子数：
  3.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  1.0

安全信息

• 海关编码：
  2812104100

反应信息

• 作为产物：
  描述：

  二氯化二硫 以 neat (no solvent, gas phase) 为溶剂， 生成 sulfanyl thiohypochlorite
  参考文献：
  名称：

  Recognition of the violet system of S₂Cl in the pyrolysis of S₂Cl₂

  摘要：

  A total of 37 absorption bands, lying between 3785 and 4805 Å, have been observed during the pyrolysis of S2Cl2 at 750 K. These bands have been tentatively assigned to transitions between the X̃ A″ state of S2Cl to an unidentified electronically excited state with vibrational frequencies ω′1 =480 cm−1 and ω2 =407 cm−1. From this assignment it follows that the ground state vibrational frequencies are ω″1 =659 cm−1, ω″2 =600 cm−1, and ω″3 =336 cm−1. A simple molecular orbital diagram has been constructed from the frontier orbitals of S2 and Cl. The predicted changes in the bond strengths and bond angles between the ground state and the excited state are consistent with experimental assignments.

  DOI：

  10.1063/1.451648

文献信息

• Elementary reactions of the SCl radical. Part1.—Rate constants and mechanisms of the reaction Cl + C₂H₄S → SCl + C₂H₄, SCl + SCl → products and SCl + Cl₂→ SCl₂+ Cl
  作者：Timothy P. Murrells

  DOI：10.1039/f29888400067

  日期：——