methyl sulphinyl radical | 25683-64-1

• 分子结构分类: 有机化合物 - 有机硫化合物
• 英文名称: methyl sulphinyl radical
• 英文别名: methylsulfinyl radical；CH3SO radical；Methylsulfinyl-Radikal；Methylsulfinylradikal
• CAS: 25683-64-1；24383-91-3
• 化学式: CH₃OS
• 分子量: 63.1002
• InChiKey: BSASGANESDGUBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 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：
  26.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  methyl sulphinyl radical 、 二氧化氮 以 gas 为溶剂， 生成 methanesulfonyl 、 氧化亚氮
  参考文献：
  名称：

  以Cl + CH 3 SH为CH 3 S源的CH 3 S + NO 2反应机理的放电流研究

  摘要：

  放电流-EPR质谱法已用于确定反应Cl + CH 3 SH→CH 3 S + HCl的速率常数（1）。我们确定k 1 =（1.1±0.4）×10 -10 cm 3分子-1 s -1在室温和0.3 Torr下。发现该反应是排出流系统中CH 3 S的方便来源，并用于研究CH 3 S + NO 2反应的机理。获得反应CH 3 SO + NO 2 →CH 3 SO 2 + NO（4）和CH的速率常数3 SO 2 + M→CH 3 + SO 2 + M（5），给出ķ 4 =（3±2）×10 -11厘米3分子-1小号-1和ķ 5 ⩽10秒-1从建模实验分布反应物和产物。

  DOI：

  10.1016/0009-2614(88)80305-1
• 作为产物：
  描述：

  methylthio radical 在 臭氧 作用下， 以 gaseous matrix 为溶剂， 生成 methyl sulphinyl radical
  参考文献：
  名称：

  甲硫基与臭氧在298 K反应的动力学

  摘要：

  DOI：

  10.1021/j100349a006

文献信息

• Reactions of the methylsulfinyl radical [CH₃(O)S˙] with oxygen (³O₂) in solid argon
  作者：Hans Peter Reisenauer、Jarosław Romański、Grzegorz Mlostoń、Peter R. Schreiner

  DOI：10.1039/c5cc02168e

  日期：——

  The atmospherically highly relevant methylsulfinyl radical (CH₃(O)S˙) reacts with molecular oxygen in cryogenic argon matrices and forms the methylsulfinylperoxyl radical (CH₃(O)SOO˙). The later was characterized by IR and UV/Vis spectroscopy, including isotopic labelling studies.

  大气中高度相关的甲基亚砜基自由基（CH3(O)S˙）在低温氩基基中与分子氧反应，形成甲基亚砜过氧自由基（CH3(O)SOO˙）。后者通过红外光谱和紫外/可见光谱进行了表征，包括同位素标记研究。
• Matrix isolation and spectroscopic properties of the methylsulfinyl radical CH3(O)S˙
  作者：Hans Peter Reisenauer、Jarosław Romański、Grzegorz Mlostoń、Peter R. Schreiner

  DOI：10.1039/c3cc45379k

  日期：——

  The atmospherically highly relevant methylsulfinyl radical CH3(O)S was generated thermally under flash pyrolysis conditions and isolated in Ar matrices at 10 K; the allyl radical is a byproduct. CH3(O)S and its D3- and (13)C-isotopologues were characterized through the excellent agreement between experimental and computed IR and UV/Vis spectra.

  大气中高度相关的甲基亚磺酰基CH3（O）S是在快速热解条件下热生成的，并在10 K的Ar矩阵中分离；烯丙基是副产物。CH3（O）S及其D3-和（13）C同位素异构体的特征是通过实验和计算的IR和UV / Vis光谱之间的出色一致性来表征的。
• Reactions of methylthio and (methylthio)dioxy with ozone, nitrogen dioxide, and nitric oxide
  作者：Andrew A. Turnipseed、Stephen B. Barone、A. R. Ravishankara

  DOI：10.1021/j100124a025

  日期：1993.6

  The atmospherically important reactions of both CH3S and CH3SOO were examined using the technique of pulsed laser photolysis/laser-induced fluorescence. Rate coefficients for the reactions CH3S + 03 --> products (1) and CH3S + NO2 --> CH3SO + NO (2) were measured to be k1(T) = (1.98 +/- 0.38) X 10(-12) exp[(290 +/-40)/T] cm3 molecule-1 s-1 and k2(T) = (2.06 +/- 0.44) x 10(-11) exp[(320 +/- 40)/T] cm3 MolecUle-1 s-1. The reactions of the weakly bound CH3SOO adduct with O3, NO2, and NO were studied at low temperatures. The rate coefficients for the adduct reactions are as follows: CH3SOO + 03 --> products (4), k4 < 8 X 10(-13) CM3 molecule-1 s-1 at T = 227 K; CH3SOO + NO2 --> products (5), k5 = (2.2 +/- 0.6) X 10(-11) CM3 molecule-1 s-1 at T = 227-246 K; and CH3SOO + NO --> products (6), k6 = (1.1 +/- 0.4) x 10(-11) CM3 Molecule-1 s-1 from T = 227-256 K. The measured values of k5 and k6 were independent of temperature and pressure over the limited ranges employed. The atmospheric implications of these findings are discussed.
• Unraveling the dissociation of dimethyl sulfoxide following absorption at 193 nm
  作者：David A. Blank、Simon W. North、Domenico Stranges、Arthur G. Suits、Yuan T. Lee

  DOI：10.1063/1.473393

  日期：1997.1.8

  We have studied the photodissociation of dimethyl sulfoxide, DMSO-h6 and DMSO-d6, at 193 nm using the technique of photofragment translational spectroscopy with a tunable vacuum ultraviolet product probe provided by undulator radiation on the Chemical Dynamics Beamline at the Advanced Light Source. In contrast to previous investigations we have found the dissociation to proceed via a stepwise mechanism involving multiple reaction channels. The primary dissociation, S–C bond cleavage to eliminate a methyl radical, was found to have two competing channels with distinct translational energy distributions. The translational energy distribution for the major primary dissociation channel suggests that it proceeds in a statistical manner on the ground electronic surface following internal conversion. In competition with this channel is a primary dissociation that exhibits a translational energy distribution suggestive of dissociation on an excited electronic surface with most of the available energy partitioned into translational and electronic degrees of freedom. Secondary decomposition of the CD3SO intermediate was found to proceed exclusively via C–S bond cleavage, CD3SO→CD3+SO. However, secondary decomposition of the CH3SO intermediate was found to exhibit competition between CH3SO→CH3+SO and CH3SO→CH2SO+H. The dissociation to CH3 and SO was the major secondary decomposition channel with the translational energy distribution indicating a barrier to recombination of &gt;8 kcal/mol. While a minor hydrogen atom elimination channel was found to play a role in secondary decomposition of CH3SO intermediates, no analogous secondary C–D bond cleavage was detected from the CD3SO intermediates indicating the importance of tunneling in the secondary decomposition of CH3SO.
• Photofragment energy distributions and dissociation pathways in dimethyl sulfoxide
  作者：Gail M. Thorson、Christopher M. Cheatum、Martin J. Coffey、F. Fleming Crim

  DOI：10.1063/1.479000

  日期：1999.6.8

  Photolysis of dimethyl sulfoxide in a molecular beam with 210 and 222 nm photons reveals the decomposition mechanism and energy disposal in the products. Using vacuum ultraviolet light and a time-of-flight spectrometer, we identify CH3 and CH3SO as primary fragments and CH3 and SO as secondary fragments. From CH3 quantum yield measurements, we find that secondary decomposition is minor for 222 nm photolysis, occurring in only about 10% of the fragments, but it increases to about 30% in the 210 nm photolysis. Laser-induced fluorescence measurements on the B3Σ−←X3Σ− transition of SO in the 235 to 280 nm region determine the internal energy of that photoproduct. We compare our results to a simple statistical model that captures the essential features of the decomposition, predicting both the extent of secondary decomposition and the recoil energy of the primary and secondary methyl fragments.