((4-((4-chloro-5-((3-(dicyanomethylene)-1,1-dioxidobenzo[b]thiophen-2(3H)-ylidene)methyl)thiazol-2-yl)diazenyl)phenyl)azanediyl)bis(ethane-2,1-diyl) diacetate | 1254561-06-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ((4-((4-chloro-5-((3-(dicyanomethylene)-1,1-dioxidobenzo[b]thiophen-2(3H)-ylidene)methyl)thiazol-2-yl)diazenyl)phenyl)azanediyl)bis(ethane-2,1-diyl) diacetate
• CAS: 1254561-06-2
• 化学式: C₂₉H₂₃ClN₆O₆S₂
• 分子量: 651.123
• InChiKey: HQBGHKXNSLPMOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.77
• 重原子数：
  44.0
• 可旋转键数：
  10.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  175.17
• 氢给体数：
  0.0
• 氢受体数：
  13.0

反应信息

• 作为产物：
  描述：

  5-噻唑甲醛,2-[[4-[二(2-羟基乙基)氨基]苯基]偶氮]-4-氯- 以 1,4-二氧六环 、 乙醇 为溶剂， 反应 8.0h， 生成 ((4-((4-chloro-5-((3-(dicyanomethylene)-1,1-dioxidobenzo[b]thiophen-2(3H)-ylidene)methyl)thiazol-2-yl)diazenyl)phenyl)azanediyl)bis(ethane-2,1-diyl) diacetate
  参考文献：
  名称：

  High nonlinear optical response in 4-chlorothiazole-based azo dyes

  摘要：

  Four azo dyes showing high nonlinear optical properties were prepared based on a 4-chlorothiazole azo moiety functionalized with strong acceptor groups and/or further donor/acceptor groups along the conjugated backbone The effects of the acceptors as well as the lateral donor/acceptor groups upon absorption properties thermal stability and second order nonlinear optical activity were evaluated (C) 2010 Elsevier Ltd All rights reserved

  DOI：

  10.1016/j.dyepig.2010.07.011