bis(chlorocarbonyl)trisulfane | 88766-37-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 有机三硫化物
• 英文名称: bis(chlorocarbonyl)trisulfane
• 英文别名: Trisulfane-1,3-dicarbonyl dichloride；S-(carbonochloridoyldisulfanyl) chloromethanethioate
• CAS: 88766-37-4
• 化学式: C₂Cl₂O₂S₃
• 分子量: 223.125
• InChiKey: JFYZMNIRWIKMQU-UHFFFAOYSA-N

物化性质

• 沸点：
  61 °C(Press: 0.3 Torr)
• 密度：
  1.64 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  110
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  bis(chlorocarbonyl)trisulfane 反应 8.0h， 以49%的产率得到(chlorocarbonyl)disulfanyl chloride
  参考文献：
  名称：

  Novel symmetrical and mixed carbamoyl and aminopolysulfanes by reactions of (alkoxydichloromethyl)polysulfanyl substrates with N-methylaniline

  摘要：

  DOI：

  10.1021/jo00360a039
• 作为产物：
  描述：

  bis(methoxydichloromethyl)trisulfane 在 三氯化铁 作用下， 反应 2.0h， 生成 bis(chlorocarbonyl)trisulfane
  参考文献：
  名称：

  Novel symmetrical and mixed carbamoyl and aminopolysulfanes by reactions of (alkoxydichloromethyl)polysulfanyl substrates with N-methylaniline

  摘要：

  DOI：

  10.1021/jo00360a039

文献信息

• Experimental and theoretical studies on bis(chlorocarbonyl)trisulfane, ClC(O)SSSC(O)Cl
  作者：Yeny A. Tobón、Melina V. Cozzarín、Carlos O. Della Védova、Rosana M. Romano

  DOI：10.1016/j.molstruc.2009.04.025

  日期：2009.7

  Bis(chlorocarbonyl)trisulfane, ClC(O)SSSC(O)Cl, was prepared by the reaction of (CH3)(2)CHOC(S)SC-(S)OCH(CH3)(2) and SO2Cl2 at 65 degrees C. The compound was characterized and identified by vibrational spectroscopy, GC-MS, matrix isolation and photochemical studies as well as by quantum chemical calculations. Matrix photochemical studies and vibrational spectra were interpreted in terms of the presence of three forms with syn-gauche-gauche-syn (I), syn-(-)gauche-gauche-syn (II), and syn-gauche-gauche-anti (III) conformations. The syn and anti conformations correspond to the orientation of each C=O group with respect to the adjacent S-S bond, while the gauche form refers to the conformation around each of the S-S bond. This result is in agreement with quantum chemical calculations which predict structures II and III to be higher in energy than conformer I by about 1.51/0.98 and 2.52/2.84 kcal/mol for the B3LYP/MP2 approximations in combination with the 6-31+G* basis set. An assignment of the liquid IR and Raman spectra is proposed for ClC(O)SSSC(O)Cl, as well as the possible mechanisms of the photolysis in Ar and N-2 matrices. The presence of ClC(O)SSCl as a photochemical product opens the possibility of further investigations for this family. (C) 2009 Elsevier B.V. All rights reserved.
• Chemistry of bis(alkoxycarbonyl)polysulfanes and related compounds
  作者：George Barany、Andrew W. Mott

  DOI：10.1021/jo00180a018

  日期：1984.3
• BARANY, G.;MOTT, A. W., J. ORG. CHEM., 1984, 49, N 6, 1043-1051
  作者：BARANY, G.、MOTT, A. W.

  DOI：——

  日期：——
• SCHROLL A. L.; BARANY G., J. ORG. CHEM., 51,(1986) N 0, 1866-1881
  作者：SCHROLL A. L.、 BARANY G.

  DOI：——

  日期：——
• Novel symmetrical and mixed carbamoyl and aminopolysulfanes by reactions of (alkoxydichloromethyl)polysulfanyl substrates with N-methylaniline
  作者：Alayne L. Schroll、George Barany

  DOI：10.1021/jo00360a039

  日期：1986.5