(甲基二硫代)甲基自由基 | 80641-42-5

• 分子结构分类: 有机化合物
• 中文名称: (甲基二硫代)甲基自由基
• 英文名称: (methyldithio)methyl radical
• 英文别名: dimethyl disulfide radical
• CAS: 80641-42-5
• 化学式: C₂H₅S₂
• 分子量: 93.1937
• InChiKey: BUCANYYICSNJIZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.79
• 重原子数：
  4.0
• 可旋转键数：
  1.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  二甲基二硫 、 (甲基二硫代)甲基自由基 生成 methylthio radical 、 2,3,5-三硫杂己烷
  参考文献：
  名称：

  Scavenging of Radicals from the Gas Phase by Freezing with Dimethyl Disulfide

  摘要：

  AbstractH and O atoms and methyl radicals produced in microwave discharges of H2/He, O2/He and CH4/He mixtures, respectively, were scavenged by supersonic nozzle probing with subsequent freezing and reaction with dimethyl disulfide on a liquid nitrogen cooled wall. The main reaction products for the three kinds of radicals were CH3SH, CH3S(O)SCH3 and CH3SCH3, respectively. Side products were CH3SCH2SSCH3 and CH3SSSCH3 for H atoms and CH3S(O)2SCH3 for O atoms. – The scavenging efficiencies for the different radicals were determined and measured as a function of the gas phase radical concentration, the flow of scavenger molecules, the pressure in the vacuum chamber, and the conditions of the discharge and the flow through the sampling nozzle. It is concluded that this method is suitable for light radicals with reservations in the case of H atoms and can probably be used with still better success for heavier radicals.

  DOI：

  10.1002/bbpc.19870910702
• 作为产物：
  描述：

  二甲基二硫 以 various solvent(s) 为溶剂， 生成 (甲基二硫代)甲基自由基 、 1,2-Bis-methyldisulfanyl-ethane
  参考文献：
  名称：

  Restricted rotation in methyldithiomethyl radical, CH3SS.ovrhdot.CH2

  摘要：

  DOI：

  10.1021/jo00346a048

文献信息

• A study of the fluorine atom + dimethyl disulfide reaction by photoelectron spectroscopy, supported by ab initio molecular orbital calculations
  作者：Jacob Baker、John M. Dyke

  DOI：10.1021/j100054a008

  日期：1994.1

  The F + CH3SSCH3 reaction has been studied by He I photoelectron spectroscopy and is seen to proceed via two competing routes, a hydrogen atom abstraction channel to generate the CH3SSCH2 radical, and an adduct channel, where the adduct unimolecularly decomposes to generate CH3SF and CH3S. A weak broad band with adiabatic and vertical ionization energies of 7.00 +/- 0.07 eV and 7.45 +/- 0.03 eV,respectively, appearing at short reaction times, has been assigned to the first photoelectron band of CH3SSCH2. Two other photoelectron bands appearing early in the reaction, with measured adiabatic ionization energies of 9.26 +/- 0.03 eV and approximate to 9.4 eV have been assigned to the CH3S radical and tentatively to CH3SF, respectively. SF2 and CH3 are also observed in the reaction and are explained as the products of the secondary reaction F + CH3SF. Ab initio calculations which include full geometry optimizations have been performed on CH3SSCH2 and CH3SF and their lowest-lying cationic states, and the adiabatic and vertical ionization energies obtained are consistent with the above assignments. The structures, and bonding in CH3SSCH2 and CH3SF and their cations are also discussed.