2-methylthio-6-(tricyanoethenyl)-4,4-diphenyldithienosilole | 1263314-90-4

• 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-methylthio-6-(tricyanoethenyl)-4,4-diphenyldithienosilole
• 英文别名: 2-(10-Methylsulfanyl-7,7-diphenyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)ethene-1,1,2-tricarbonitrile；2-(10-methylsulfanyl-7,7-diphenyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)ethene-1,1,2-tricarbonitrile
• CAS: 1263314-90-4
• 化学式: C₂₆H₁₅N₃S₃Si
• 分子量: 493.709
• InChiKey: JSFCGBXQGLIORQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.21
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  153
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3,3'-dibromo-5-methylthio-5'-trimethylsilyl-2,2'-bithiophene 在 盐酸 、 正丁基锂 作用下， 以 四氢呋喃 、 乙醚 、 正己烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 84.0h， 生成 2-methylthio-6-(tricyanoethenyl)-4,4-diphenyldithienosilole
  参考文献：
  名称：

  Synthesis and Chromic Behaviors of Dithienosiloles with Push-Pull Substituents Toward VOC Detection

  摘要：

  2-Methylthio- and 2-n-hexylthienyl-6-(tricyanoethenyl)-4,4-diphenyldithienosilole were prepared as novel push-pull type compounds. These compounds exhibit solvatochromic behaviors with respect to their UV-vis absorption and emission spectra. Clear vapor chromism is also observed for their thin solid films and the color changed clearly on exposure of the films to organic solvent vapors, indicating the potential applications to VOC sensors.

  DOI：

  10.1080/15421406.2010.495642

文献信息

• Synthesis and Chromic Behaviors of Dithienosiloles with Push-Pull Substituents Toward VOC Detection
  作者：Joji Ohshita、Daiki Tanaka、Kwang-Hoi Lee、Yasunori Kurushima、Shotaro Kajiwara、Yousuke Ooyama、Yutaka Harima、Atsutaka Kunai、Yoshihito Kunugi

  DOI：10.1080/15421406.2010.495642

  日期：2010.10.8

  2-Methylthio- and 2-n-hexylthienyl-6-(tricyanoethenyl)-4,4-diphenyldithienosilole were prepared as novel push-pull type compounds. These compounds exhibit solvatochromic behaviors with respect to their UV-vis absorption and emission spectra. Clear vapor chromism is also observed for their thin solid films and the color changed clearly on exposure of the films to organic solvent vapors, indicating the potential applications to VOC sensors.