2-Thioxo-3-ethyl-5-anilinomethylenethiazolidin-4-one | 118050-05-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-Thioxo-3-ethyl-5-anilinomethylenethiazolidin-4-one
• 英文别名: 5-(E)-anilinomethylene-3-ethyl-2-thioxo-thiazolidin-4-one；3-Ethyl-5-anilinomethylene-rhodanin；(5E)-5-(anilinomethylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
• CAS: 118050-05-8
• 化学式: C₁₂H₁₂N₂OS₂
• 分子量: 264.372
• InChiKey: PXBJDLPPRXOBIZ-CSKARUKUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.82
• 重原子数：
  17.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  32.34
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-Thioxo-3-ethyl-5-anilinomethylenethiazolidin-4-one 在 三乙胺 、 硫酸二甲酯 作用下， 以 吡啶 、 乙酸酐 为溶剂， 反应 2.5h， 生成 6-{(Z)-3-Ethyl-5-[2-[1-ethyl-1H-quinolin-(4Z)-ylidene]-eth-(E)-ylidene]-4,4'-dioxo-2'-thioxo-[2,5']bithiazolidinyliden-3'-yl}-hexanoic acid isopropyl ester
  参考文献：
  名称：

  Research in the polymerocyanine series. 8. 4-Quinodimerocyanine dyes with fluorine-containing substituents

  摘要：

  DOI：

  10.1007/bf00506609

文献信息

• ANTI-NEURODEGENERATIVE DISEASE AGENT
  申请人：Ohta Hitomi

  公开号：US20120035187A1

  公开（公告）日：2012-02-09

  The present invention has an object to provide a novel agent for anti-neurodegenerative diseases and solves the object by providing an agent for anti-neurodegenerative diseases containing, as an effective ingredient, the compound(s) represented by the following General formula 1: wherein in General formula 1, R 1 through R 3 independently represent a hydrogen atom or an appropriate substituent; Z 1 represents a heterocyclic ring and Z 2 represents the same or different heterocyclic or aromatic ring as in Z 1 , wherein the heterocyclic and aromatic rings optionally have a substituent; represents an integer of 0, 1 or 2; p represents an integer of 0 or 1, with the proviso that p is 1 when o is 0 or 2, and p is 0 when o is 1; R 1 and R 2 do not exist when o is 0, while, when p is 0, R 3 does not exist and the binding between the carbon atom to which R 2 binds and Z 2 is a single bond; X 1 − represents an appropriate counter anion and q represents an integer of 1 or 2.
• Research in the polymerocyanine series. 8. 4-Quinodimerocyanine dyes with fluorine-containing substituents
  作者：M. S. Lyubich、Z. Ya. Krainer、S. M. Larina、E. V. Radovitskaya

  DOI：10.1007/bf00506609

  日期：1982.12