Thioacetic acid S-[3-(4-{2-[5-(3-acetylsulfanyl-phenyl)-2-methyl-thiophen-3-yl]-cyclopent-1-enyl}-5-methyl-thiophen-2-yl)-phenyl] ester

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯硫酚酯
• 英文名称: Thioacetic acid S-[3-(4-{2-[5-(3-acetylsulfanyl-phenyl)-2-methyl-thiophen-3-yl]-cyclopent-1-enyl}-5-methyl-thiophen-2-yl)-phenyl] ester
• 英文别名: S-[3-[4-[2-[5-(3-acetylsulfanylphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl] ethanethioate
• 化学式: C₃₁H₂₈O₂S₄
• 分子量: 560.826
• InChiKey: BLPZAESFHHNTTB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  37
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  141
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1,2-双(5-氯-2-甲基噻吩-3-基)环戊-1-烯 在 正丁基锂 、 叔丁基锂 作用下， 以 四氢呋喃 、 正己烷 、 正戊烷 为溶剂， 反应 5.0h， 生成 Thioacetic acid S-[3-(4-{2-[5-(3-acetylsulfanyl-phenyl)-2-methyl-thiophen-3-yl]-cyclopent-1-enyl}-5-methyl-thiophen-2-yl)-phenyl] ester
  参考文献：
  名称：

  Molecular Switches Get Wired: Synthesis of Diarylethenes Containing One or Two Sulphurs

  摘要：

  Two series of novel diarylethenes, the first containing one and the second two acetyl protected thiol groups, were synthesised in two and three steps from an easily available known intermediate. Newly synthesised compounds present ideal examples of model substrates for photochromic studies on metal surfaces.

  DOI：

  10.1080/15421400590946398

文献信息

• Molecular Switches Get Wired: Synthesis of Diarylethenes Containing One or Two Sulphurs
  作者：T. Kudernac、J. J. De Jong、J. Van Esch、B. L. Feringa、D. Dulić、S. J. Van Der Molen、B. J. Van Wees

  DOI：10.1080/15421400590946398

  日期：2005.5.1

  Two series of novel diarylethenes, the first containing one and the second two acetyl protected thiol groups, were synthesised in two and three steps from an easily available known intermediate. Newly synthesised compounds present ideal examples of model substrates for photochromic studies on metal surfaces.