4,8-bis(1,3-diselenol-2-ylidene)-4H,8H-benzo<1,2-c:4,5-c'>bis<1,2,5>thiadiazole | 143493-51-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻二唑类
• 英文名称: 4,8-bis(1,3-diselenol-2-ylidene)-4H,8H-benzo<1,2-c:4,5-c'>bis<1,2,5>thiadiazole
• 英文别名: 4,8-Bis(1,3-diselenol-2-ylidene)-[1,2,5]thiadiazolo[3,4-f][2,1,3]benzothiadiazole
• CAS: 143493-51-0
• 化学式: C₁₂H₄N₄S₂Se₄
• 分子量: 584.163
• InChiKey: LGSQDAQASCXOSL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.39
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  108
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4H,8H-benzo<1,2-c:4,5-c'>bis<1,2,5>thiadiazole-4,8-dione 、 (4,5-dicarbomethoxy-1,3-diselenolyl)tributylphosphonium tetrafluoroborate 在 六甲基磷酰三胺 、 正丁基锂 、 lithium bromide 作用下， 生成 4,8-bis(1,3-diselenol-2-ylidene)-4H,8H-benzo<1,2-c:4,5-c'>bis<1,2,5>thiadiazole
  参考文献：
  名称：

  Preparation and properties of bis[1,2,5]thiadiazolo-p-quinobis(1,3-dithiole) (BTQBT) and its derivatives. Novel organic semiconductors

  摘要：

  Bis[1,2,5]thiadiazlo-p-quinobis(1,3-dithiole) (BTQBT) (3a) and its derivatives 3b-f were prepared by using a Wittig-Horner reaction. The conductivity of BTQBT was good as a single component. The X-ray structural analysis reveals that the planar molecule forms a sheetlike network by short S---S contacts. The conductivities of the derivatives 3b-f were poorer than that of BTQBT, indicating that the unique crystal structure of BTQBT is needed for the good conductivity. The selenadiazolo analogues 9a,b were also prepared. The conductivities were a little higher than that of BTQBT due to the stronger intermolecular interactions caused by the selenium atom.

  DOI：

  10.1021/jo00046a039