bis<1,2,5>selenadiazolo-p-quinobis-(1,3-dithiole) | 141874-97-7

• 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: bis<1,2,5>selenadiazolo-p-quinobis-(1,3-dithiole)
• 英文别名: 4,8-bis(1,3-dithiol-2-ylidene)-4H,8H<1,2,5>selenadiazolo<3,4-f>-2,1,3-benzothiadiazole；4,8-Bis(1,3-dithiol-2-ylidene)-[1,2,5]selenadiazolo[3,4-f][2,1,3]benzothiadiazole
• CAS: 141874-97-7
• 化学式: C₁₂H₄N₄S₅Se
• 分子量: 443.481
• InChiKey: VQVVXAVRVFVEJV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.73
• 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：
  181
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2-(1,3-二噻吩)磷酸二甲酯 、 4H,8H-<1,2,5>selenadiazolo<3,4-f>-2,1,3-benzothiadiazole-4,8-dione 以34%的产率得到bis<1,2,5>selenadiazolo-p-quinobis-(1,3-dithiole)
  参考文献：
  名称：

  Yamashita, Yoshiro; Tanaka, Shoji; Tomura, Masaaki, Phosphorus, Sulfur and Silicon and the Related Elements, 1992, vol. 67, # 1-4, p. 327 - 332

  摘要：

  DOI：

文献信息

• Preparation and properties of bis[1,2,5]thiadiazolo-p-quinobis(1,3-dithiole) (BTQBT) and its derivatives. Novel organic semiconductors
  作者：Yoshiro Yamashita、Shoji Tanaka、Kenichi Imaeda、Hiroo Inokuchi、Mizuka Sano

  DOI：10.1021/jo00046a039

  日期：1992.9

  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.
• Yamashita, Yoshiro; Tanaka, Shoji; Tomura, Masaaki, Phosphorus, Sulfur and Silicon and the Related Elements, 1992, vol. 67, # 1-4, p. 327 - 332
  作者：Yamashita, Yoshiro、Tanaka, Shoji、Tomura, Masaaki

  DOI：——

  日期：——