2,3-Bis(methylthio)cyclopropenethione | 60288-63-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2,3-Bis(methylthio)cyclopropenethione
• 英文别名: bis(methylthio)cyclopropenethione；1,2-Dimethylthiocyclopropenthion；2,3-Bis(methylsulfanyl)cycloprop-2-ene-1-thione
• CAS: 60288-63-3
• 化学式: C₅H₆S₃
• 分子量: 162.301
• InChiKey: WLVPLIODDBVULS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  82.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,3-Bis(methylthio)cyclopropenethione 在 air 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Sterically Stabilized Cyclopropenonophanes and an Electronically Stabilized Cyclopropenethionophane:  Syntheses, Structural Properties, and Reactivity

  摘要：

  The syntheses of sterically stabilized cyclopropenonophanes as well as an electronically stabilized cyclopropenethionophane are reported, and their molecular structures in the solid state are elucidated. The sulfur of the CS moiety in cyclopropenethiones was shown to react as a nucleophile. Temperatures of more than 240 degreesC favor the extrusion of CO in the cyclopropenonophane to afford an alpha,alpha'-tetramethyl-substituted cyclodiyne.

  DOI：

  10.1021/ol047317e
• 作为产物：
  描述：

  bis(methylthio)cyclopropenone 在 草酰氯 、 硫代乙酸 作用下， 以 乙二醇二甲醚 为溶剂， 反应 4.0h， 以45%的产率得到2,3-Bis(methylthio)cyclopropenethione
  参考文献：
  名称：

  Sterically Stabilized Cyclopropenonophanes and an Electronically Stabilized Cyclopropenethionophane:  Syntheses, Structural Properties, and Reactivity

  摘要：

  The syntheses of sterically stabilized cyclopropenonophanes as well as an electronically stabilized cyclopropenethionophane are reported, and their molecular structures in the solid state are elucidated. The sulfur of the CS moiety in cyclopropenethiones was shown to react as a nucleophile. Temperatures of more than 240 degreesC favor the extrusion of CO in the cyclopropenonophane to afford an alpha,alpha'-tetramethyl-substituted cyclodiyne.

  DOI：

  10.1021/ol047317e

文献信息

• Boberg, Friedrich; Kirchner, Ulpt; Garming, Alfons, Phosphorus, Sulfur and Silicon and the Related Elements, 1992, vol. 66, # 1.4, p. 177 - 182
  作者：Boberg, Friedrich、Kirchner, Ulpt、Garming, Alfons

  DOI：——

  日期：——
• Sterically Stabilized Cyclopropenonophanes and an Electronically Stabilized Cyclopropenethionophane:  Syntheses, Structural Properties, and Reactivity
  作者：Daniel B. Werz、Andreea Schuster、Rolf Gleiter、Frank Rominger

  DOI：10.1021/ol047317e

  日期：2005.3.1

  The syntheses of sterically stabilized cyclopropenonophanes as well as an electronically stabilized cyclopropenethionophane are reported, and their molecular structures in the solid state are elucidated. The sulfur of the CS moiety in cyclopropenethiones was shown to react as a nucleophile. Temperatures of more than 240 degreesC favor the extrusion of CO in the cyclopropenonophane to afford an alpha,alpha'-tetramethyl-substituted cyclodiyne.