5,17,29,41,-tetraoxa-2,8,10,12,14,20,22,24,26,32,34,36,38,44,46,48-hexadecathiapentacyclo<443.3.0.0^9,13.0^21,25.0^33,37>octatetraconta-1(33),9(13),21(25),33(37)-tetraene-11,23,35,47-tetrathione | 144694-68-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 5,17,29,41,-tetraoxa-2,8,10,12,14,20,22,24,26,32,34,36,38,44,46,48-hexadecathiapentacyclo<443.3.0.0^9,13.0^21,25.0^33,37>octatetraconta-1(33),9(13),21(25),33(37)-tetraene-11,23,35,47-tetrathione
• 英文别名: 5,17,29,41,-tetraoxa-2,8,10,12,14,20,22,24,26,32,34,36,38,44,46,48-hexadecathiapentacyclo[443.3.0.0^9,13.0^21,25.0^33,37]octatetraconta-1(33),9(13),21(25),33(37)-tetraene-11,23,35,47-tetrathione；5,17,29,41-Tetraoxa-2,8,10,12,14,20,22,24,26,32,34,36,38,44,46,48-hexadecathiapentacyclo[43.3.0.09,13.021,25.033,37]octatetraconta-1(45),9(13),21(25),33(37)-tetraene-11,23,35,47-tetrathione
• CAS: 144694-68-8
• 化学式: C₂₈H₃₂O₄S₂₀
• 分子量: 1073.88
• InChiKey: DUIIWDMFPCUNGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.2
• 重原子数：
  52
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  570
• 氢给体数：
  0
• 氢受体数：
  24

反应信息

• 作为产物：
  描述：

  2,2'-二溴二乙醚 、 4,5-双(苯甲酰硫基)-1,3-二硫杂环戊烯-2-硫酮 在 sodium ethanolate 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 以18%的产率得到5-oxo-2,8,10,12-tetrathiabicyclo<7.3.0>dodec-1(9)ene-11-thione
  参考文献：
  名称：

  Crown ether derivatives of tetrathiafulvalene. 1

  摘要：

  A synthetic procedure leading to derivatives of tetrathiafulvalene (TTF) incorporating crown ether ligands has been developed. The properties of such redox-active ionophores were studied by cyclic voltammetry (CV), plasma desorption mass spectrometry (PDMS), and H-1-NMR.

  DOI：

  10.1021/jo00050a010

文献信息

• Becher, Jan; Hansen, Thomas K.; Joergensen, Tine, Bulletin des Societes Chimiques Belges, 1992, vol. 101, # 7, p. 555 - 568
  作者：Becher, Jan、Hansen, Thomas K.、Joergensen, Tine、Stein, Paul

  DOI：——

  日期：——
• Crown ether derivatives of tetrathiafulvalene. 1
  作者：Thomas K. Hansen、Tine Joergensen、Paul C. Stein、Jan Becher

  DOI：10.1021/jo00050a010

  日期：1992.11

  A synthetic procedure leading to derivatives of tetrathiafulvalene (TTF) incorporating crown ether ligands has been developed. The properties of such redox-active ionophores were studied by cyclic voltammetry (CV), plasma desorption mass spectrometry (PDMS), and H-1-NMR.