4H,8H-8-(1,3-dithiol-2-ylidene)benzo<1,2-c:4,5-c'>bis<1,2,5>thiadiazol-4-one | 143493-50-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4H,8H-8-(1,3-dithiol-2-ylidene)benzo<1,2-c:4,5-c'>bis<1,2,5>thiadiazol-4-one
• 英文别名: 4-(1,3-Dithiol-2-ylidene)-[1,2,5]thiadiazolo[3,4-f][2,1,3]benzothiadiazol-8-one
• CAS: 143493-50-9
• 化学式: C₉H₂N₄OS₄
• 分子量: 310.405
• InChiKey: CWXKBHKVADBGQU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  176
• 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-benzo<1,2-c:4,5-c'>bis<1,2,5>thiadiazole-4,8-dione 以40%的产率得到4H,8H-8-(1,3-dithiol-2-ylidene)benzo<1,2-c:4,5-c'>bis<1,2,5>thiadiazol-4-one
  参考文献：
  名称：

  对苯二甲甲烷与1,2,5-噻二唑融合的二硫代衍生物：一种新型的π-供体-受体系统

  摘要：

  4 H，8 H-（1,3-二硫醇-2-亚烷基）苯并[1,2- c：4,5- c ']双[1,2,5]噻二唑-4-酮基BTQT异质原子接触形成的新型三维晶体，显示出非欧姆行为。

  DOI：

  10.1039/c39930001803

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.
• Dithio-derivatives of p-quinodimethanes fused with 1,2,5-thiadiazoles: a novel type of π-donor–acceptor system
  作者：Yoshiro Yamashita、Katsuhiko Ono、Shoji Tanaka、Kenichi Imaeda、Hiroo Inokuchi、Mizuka Sano

  DOI：10.1039/c39930001803

  日期：——

  4H,8H-(1,3-Dithiol-2-ylidene)benzo[1,2-c:4,5-c′]bis[1,2,5]thiadiazol-4-one BTQT, which forms a novel three-dimensional crystal by interheteroatom contacts, shows a non-ohmic behaviour.

  4 H，8 H-（1,3-二硫醇-2-亚烷基）苯并[1,2- c：4,5- c ']双[1,2,5]噻二唑-4-酮基BTQT异质原子接触形成的新型三维晶体，显示出非欧姆行为。