Chloro(chlorosulfanylimino)sulfanium | 44229-09-6

• 英文名称: Chloro(chlorosulfanylimino)sulfanium
• CAS: 44229-09-6
• 化学式: Cl₂NS₂
• 分子量: 149.045
• InChiKey: PXMZVPQVQUZAOO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  silver hexafluoroantimonate 、 以 二氧化硫 为溶剂， 生成 dithianitronium 、 poly(sulfur nitride) 、 Chloro(chlorosulfanylimino)sulfanium 、 S₃N₂Cl⁽¹⁺⁾*SbF₆^(1-)=S₃N₂ClSbF₆
  参考文献：
  名称：

  Convenient Preparation and Full Characterization of a Synthetically Useful Salt of the Dithianitronium Cation, SNSSbF₆, from Readily Available Starting Materials

  摘要：

  The synthetically useful SNSSbF6 is prepared, in good yield, from the reactions of S3N2Cl2 or S3N2Cl3 with stoichiometric amounts of AgSbF6 and S-8 in liquid SO2. SNSSbF6 crystallizes monoclinic in space group C2/m (a = 9.740(2) angstrom, b = 6,644(2) angstrom, c = 5.334(1) angstrom, beta = 90.58(2)degrees Z = 2). The crystal structure was determined by standard methods and refined to R-1 = 0.019 and wR(2) = 0.048. The structure consists of discrete linear centrosymmetric SNS+ cations [S-N = 1.4871(10) angstrom] and almost octahedral SbF6- anions, with weak cation-anion interactions. The lattice energy of SNSSbF6 was determined from the volume-based method as 525 +/- 32 KJ mol(-1) and the heat of formation of SNSSbF6(s) has been estimated as -1566 +/- 24 KJ mol(-1). The FT-IR, Raman, and N-14 NMR spectra are reported, as well as an in situ study of the reaction of S3N2Cl2 with AsF5 in SO2 solution.

  DOI：

  10.1021/ic0483139