Methansulfenylchlorid-d(3) | 51299-90-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫基化合物
• 英文名称: Methansulfenylchlorid-d(3)
• 英文别名: trideuterio-methanesulfenyl chloride；chloro-trideuteriomethyl-sulfane；Trideuteriomethyl thiohypochlorite；trideuteriomethyl thiohypochlorite
• CAS: 51299-90-2
• 化学式: CH₃ClS
• 分子量: 85.53
• InChiKey: DDCYYCUMAFYDDU-FIBGUPNXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  3
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  Methansulfenylchlorid-d(3) 在 sulfonium hexafluoroantimonate 作用下， 反应 0.25h， 生成
  参考文献：
  名称：

  三(甲硫基)锍盐[(CH3S)3S]+SbF6-1的合成与表征

  摘要：

  [(CH3S)3S]+SbF6-，有机基饱和的三硫锍盐的第一个例子，由 SH3+SbF6- 和 CH3SCl 制备，并通过 1H、13C NMR、红外和拉曼光谱表征。无色盐在 10 °C 下是稳定的，但 SO2 中的溶液在 -60 °C 下会在几小时内分解。通过从头计算和基于四种附加同位素衍生物 [(CH334S)3S]+SbF6-、[(CH3S)334S]+SbF6-、[(13CH3S)3S]+SbF6 的正态坐标分析来研究阳离子的结构-, 和 [(CD3S)3S]+SbF6-。阳离子具有锥体三硫锍单元的 C3 对称性，预测几何参数为 r(SS) = 208.8 pm 和 ∠(SSS) = 104.06°。

  DOI：

  10.1021/ja9917518
• 作为产物：
  描述：

  甲基-D6 二硫醚 在 磺酰氯 作用下， 生成 Methansulfenylchlorid-d(3)
  参考文献：
  名称：

  Matrix IR spectra and normal coordinate analysis for methanesulfenyl chloride and isotopic analogs

  摘要：

  The IR spectra (4000-250 cm(-1)) of CH3SCl and CD3SCl in solid argon have been obtained. Fundamental vibrations, except the torsional vibrations, have been assigned. Normal coordinate analysis has been carried out omitting the torsional modes.

  DOI：

  10.1016/0584-8539(95)01523-x

文献信息

• FTIR spectra of the hydrogen-bonded complex H2CS⋯HCl in solid Ar, N2, and Xe
  作者：Eiichi Suzuki、Masahiro Yamazaki、Kenji Shimizu

  DOI：10.1016/j.molstruc.2006.03.040

  日期：2006.9

  isotopomer were photodecomposed in several low-temperature matrices and the vibrational spectra of generated thioformaldehyde⋯hydrogen chloride complexes were recorded. In solid Ar, previously unreported several modes, especially the intermolecular librational modes, were observed. The H–Cl stretching mode of the complex revealed a characteristic large red shift from the monomer frequency in Ar and N 2

  摘要 甲磺酰氯及其氘化同位素在几种低温基质中进行光分解，并记录了生成的硫代甲醛⋯氯化氢配合物的振动光谱。在固体 Ar 中，观察到了以前未报道的几种模式，尤其是分子间振动模式。复合物的 H-Cl 拉伸模式显示了从 Ar 和 N 2 矩阵中的单体频率的特征性大红移。除了这个大的红移带之外，在 Xe 基质中还观察到一个相对较小的 H-Cl 伸缩带。后者被认为是由于在较少扰动的矩阵位点中的复合物。
• Synthesis, physical characterisation and chemical properties of methylsulphur trifluoride, CH3SF3
  作者：Anthony J. Downs、Alan M. Forster、G. Sean McGrady、Ben J. Taylor

  DOI：10.1039/dt9910000081

  日期：——

  Methylsulphur trifluoride, CH3SF3, has been synthesised by the reaction between AgF2 and a solution of CH3SCl in CCl3F. It is a clear, viscous liquid which attacks glass, is hydrolysed rapidly, and decomposes at ambient temperatures to give CH2FSF3 and CH2FSSCH2F. The compound has been characterised by its H-1 and F-19 NMR and vibrational spectra, and a partial vibrational assignment is proposed. The chemistry of CH3SF3 is akin to that of SF4. Thus, it functions as a fluoride ion donor much more readily than as a fluoride ion acceptor. It reacts with Pyrex glass to give CH3S(O)F, is hydrolysed to CH3S(O)OH, and effects O-F exchange with acetone to yield 2,2-difluoropropane.
• Synthesis and Characterization of the Tris(methylthio)sulfonium Salt [(CH₃S)₃S]⁺SbF₆^-¹
  作者：Rolf Minkwitz、Andreas Kornath、Wolfgang Sawodny、Volker Typke、Jerry A. Boatz

  DOI：10.1021/ja9917518

  日期：2000.2.1

  [(CH3S)3S]+SbF6-, the first example of a trithiosulfonium salt saturated with organyl groups, was prepared from SH3+SbF6- and CH3SCl and characterized by 1H, 13C NMR, infrared, and Raman spectroscopy. The colorless salt is stable up to 10 °C, but solutions in SO2 decompose at −60 °C in a few hours. The structure of the cation was studied by ab initio calculations and a normal coordinate analysis based

  [(CH3S)3S]+SbF6-，有机基饱和的三硫锍盐的第一个例子，由 SH3+SbF6- 和 CH3SCl 制备，并通过 1H、13C NMR、红外和拉曼光谱表征。无色盐在 10 °C 下是稳定的，但 SO2 中的溶液在 -60 °C 下会在几小时内分解。通过从头计算和基于四种附加同位素衍生物 [(CH334S)3S]+SbF6-、[(CH3S)334S]+SbF6-、[(13CH3S)3S]+SbF6 的正态坐标分析来研究阳离子的结构-, 和 [(CD3S)3S]+SbF6-。阳离子具有锥体三硫锍单元的 C3 对称性，预测几何参数为 r(SS) = 208.8 pm 和 ∠(SSS) = 104.06°。
• Matrix IR spectra and normal coordinate analysis for methanesulfenyl chloride and isotopic analogs
  作者：Hiroshi Saito、Hitoshi Kurabe、Eiichi Suzuki、Fumio Watari

  DOI：10.1016/0584-8539(95)01523-x

  日期：1995.12

  The IR spectra (4000-250 cm(-1)) of CH3SCl and CD3SCl in solid argon have been obtained. Fundamental vibrations, except the torsional vibrations, have been assigned. Normal coordinate analysis has been carried out omitting the torsional modes.