| 1314078-86-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二硫醇
• CAS: 1314078-86-8
• 化学式: C₃₀H₅₀I₂S₆
• 分子量: 856.932
• InChiKey: MGRLRFUPIUFNJW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.5
• 重原子数：
  38.0
• 可旋转键数：
  24.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2-乙炔基吡啶 、 在 copper(l) iodide 、 四(三苯基膦)钯 、 三乙胺 作用下， 以 苯 为溶剂， 反应 1.0h， 以65%的产率得到2-[2-[2-[4,5-Bis(dodecylsulfanyl)-1,3-dithiol-2-ylidene]-5-(2-pyridin-2-ylethynyl)-1,3-dithiol-4-yl]ethynyl]pyridine
  参考文献：
  名称：

  Self-assembly and nanostructure formation of amphiphilic 4,5-bis(2-pyridylethynyl)tetrathiafulvalenes

  摘要：

  Amphiphilic tetrathiafulvalene (TTF) having both long alkylthio chains and pyridylethynyl groups was synthesised, and its nanostructure and redox properties were investigated. The bis(pyridylethynyl)TTF formed 1D flat and helical tapes. Since these tapes were of micrometre size, the conductivities of neutral and I2-doped tapes could be measured by directly attaching gold wires to the tape. After doping with I2, the colour of the tape changed from purple to black, and the tape behaved as a semiconductor up to 2.6x10-4Scm-1.

  DOI：

  10.1080/10610278.2010.527978
• 作为产物：
  描述：

  4,5-diiodo-[1,3]dithiole-2-one 、 4,5-bis(dodecylthio)-1,3-dithiole-2-thione 在 三甲氧基磷 作用下， 以 甲苯 为溶剂， 反应 3.0h， 以65%的产率得到
  参考文献：
  名称：

  Self-assembly and nanostructure formation of amphiphilic 4,5-bis(2-pyridylethynyl)tetrathiafulvalenes

  摘要：

  Amphiphilic tetrathiafulvalene (TTF) having both long alkylthio chains and pyridylethynyl groups was synthesised, and its nanostructure and redox properties were investigated. The bis(pyridylethynyl)TTF formed 1D flat and helical tapes. Since these tapes were of micrometre size, the conductivities of neutral and I2-doped tapes could be measured by directly attaching gold wires to the tape. After doping with I2, the colour of the tape changed from purple to black, and the tape behaved as a semiconductor up to 2.6x10-4Scm-1.

  DOI：

  10.1080/10610278.2010.527978