3-ethyl-2-thioxo-5-[(1,3,3-trimethyl-indolin-2-yliden)-ethylidene]-thiazolidin-4-one | 36591-12-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 3-ethyl-2-thioxo-5-[(1,3,3-trimethyl-indolin-2-yliden)-ethylidene]-thiazolidin-4-one
• 英文别名: 3-Aethyl-2-thioxo-5-[(1,3,3-trimethyl-indolin-2-yliden)-aethyliden]-thiazolidin-4-on；(5E)-3-ethyl-2-thioxo-5-[(2E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one；(5E)-3-ethyl-2-sulfanylidene-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one
• CAS: 36591-12-5
• 化学式: C₁₈H₂₀N₂OS₂
• 分子量: 344.502
• InChiKey: QFTZFCHXTGZQEA-WFYKWJGLSA-N

物化性质

• 熔点：
  211-212 °C (decomp)
• 沸点：
  434.1±55.0 °C(Predicted)
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  80.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-乙基-2-硫代-4-噻唑烷二酮 、 2-(2-acetanilidovinyl)-1,3,3-trimethyl-3H-indolium iodide 在 三乙胺 作用下， 生成 3-ethyl-2-thioxo-5-[(1,3,3-trimethyl-indolin-2-yliden)-ethylidene]-thiazolidin-4-one
  参考文献：
  名称：

  Studies in the Cyanine Dye Series. XI.¹ The Merocyanines

  摘要：

  DOI：

  10.1021/ja01155a095

文献信息

• DE910199
  申请人：——

  公开号：——

  公开（公告）日：——
• 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.
• Studies in the Cyanine Dye Series. XI.¹ The Merocyanines
  作者：L. G. S. Brooker、G. H. Keyes、R. H. Sprague、R. H. VanDyke、E. VanLare、G. VanZandt、F. L. White

  DOI：10.1021/ja01155a095

  日期：1951.11