5,10-di(methylthio)-anthra<1,9-cd; 5,10-c'd'>bis<1,2>dithiole | 75806-05-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 5,10-di(methylthio)-anthra<1,9-cd; 5,10-c'd'>bis<1,2>dithiole
• 英文别名: anthrabis[1,2]dithiole；ANTBDT；5,10-di(methylthio)-anthra(1,9-cd; 5,10-c'd')bis[1,2]dithiole；8,16-Bis(methylsulfanyl)-3,4,11,12-tetrathiapentacyclo[8.6.1.12,5.013,17.09,18]octadeca-1,5(18),6,8,10(17),13,15-heptaene
• CAS: 75806-05-2
• 化学式: C₁₆H₁₀S₆
• 分子量: 394.651
• InChiKey: SMYUPNSXFXRQDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  152
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1,4,4aλ⁴,5,8,8aλ⁴-hexathiadipentaleno<2,1,6,5-defg; 2',1',6',5'-klmn>anthracene 生成 5,10-di(methylthio)-anthra<1,9-cd; 5,10-c'd'>bis<1,2>dithiole
  参考文献：
  名称：

  AYYANGAR N. R.; PURAO S. R.; TILAK B. D., INDIAN J. CHEM., 1978, B 16, NO 8, 673-677

  摘要：

  DOI：

文献信息

• Davidson, Stephen; Grinter, Trevor J.; Leaver, Derek, Journal of Chemical Research, Miniprint, 1980, # 7, p. 3172 - 3182
  作者：Davidson, Stephen、Grinter, Trevor J.、Leaver, Derek、Steven, James H.

  DOI：——

  日期：——
• Electrochemical Behaviors of Hexathiadipentalene Ring, Dithiol Ring, and Methyl Sulfide Groups on Anthracene Derivatives Confined on Electrode
  作者：Tomoo Sarukawa、Shuichirou Yamaguchi、Noboru Oyama

  DOI：10.1149/1.3499123

  日期：——

  Hexathiadipentalenoanthracene (hexathioanthracene) and related-structure compounds which are based on anthracene (ANT) containing redox-active organosulfur unit were synthesized, and their redox-activities of trithiapentalene ring, dithiol ring, and its methyl sulfide function groups linked on the ANT molecule were examined with the cyclic voltammetric method using their coated electrodes. The electrochemical oxidation processes for their neutral compounds (hexathiadipentalenoanthracene, 1,4,5,8-tetra (methylthio)anthracene and anthra-bis-[1,2]dithiole) are electrochemically reversible and exhibit stepwise two one-electron transfer redox responses in an ethylene carbonate (EC): diethylcarbonate (DEC) (1: 3 volume ratio) solution containing 1.0 M LiPF(6) in the potential range from 3.00 to 4.60 V (versus Li/Li(+)). (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3499123] All rights reserved.