1,4,4aλ⁴,5,8,8aλ⁴-hexathiadipentaleno<2,1,6,5-defg; 2',1',6',5'-klmn>anthracene | 68806-31-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 1,4,4aλ⁴,5,8,8aλ⁴-hexathiadipentaleno<2,1,6,5-defg; 2',1',6',5'-klmn>anthracene
• 英文别名: hexathiadipentalenoanthracene；HTDPANT；Anthra<1',3',8'-b,c,d,e><4',10',5'-b',c',d',e'>bis<1,6,6a-(6a-S(IV))trithia>pentalene；Anthra[1',3',8'-b,c,d,e][4',10',5'-b',c',d',e']bis[1,6,6a-[6a-S(IV)]trithia]pentalene；1lambda4,2,7,8lambda4,9,20-Hexathiaheptacyclo[11.6.1.03,18.06,17.08,16.010,15.014,19]icosa-1(19),3(18),4,6(17),8(16),10(15),11,13-octaene；1λ4,2,7,8λ4,9,20-hexathiaheptacyclo[11.6.1.03,18.06,17.08,16.010,15.014,19]icosa-1(19),3(18),4,6(17),8(16),10(15),11,13-octaene
• CAS: 68806-31-5
• 化学式: C₁₄H₄S₆
• 分子量: 364.582
• InChiKey: PGHSINKEFDOPNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  140
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  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：
• 作为产物：
  描述：

  1,4,5,8-四氯蒽醌 在 sodium sulfide 作用下， 以36.3%的产率得到1,4,4aλ⁴,5,8,8aλ⁴-hexathiadipentaleno<2,1,6,5-defg; 2',1',6',5'-klmn>anthracene
  参考文献：
  名称：

  限制在电极上的蒽衍生物上六硫杂二戊烯环、二硫醇环和甲硫基的电化学行为

  摘要：

  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.

  DOI：

  10.1149/1.3499123

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：——
• DAVIDSON S.; GRINTER T. J.; LEAVER D.; STEVEN J. H., J. CHEM. RES. SYNOP., 1980, NO 7, 221, (M 3172-3182)
  作者：DAVIDSON S.、 GRINTER T. J.、 LEAVER D.、 STEVEN J. H.

  DOI：——

  日期：——
• Redox-active reversible electrode and secondary battery using the same
  申请人：Oyama Noboru

  公开号：US20070026310A1

  公开（公告）日：2007-02-01

  A redox-active reversible electrode has a redox-active film on a surface of an electrically conductive substrate. The redox-active film includes a redox-active sulfur-containing substance which has at least one aromatic ring and a ring containing at least one disulfide bond, with a side of the disulfide-containing ring constituting a side of the aromatic ring, and which has a property that it is capable of reversibly releasing and receiving one or more electrons per disulfide-containing ring without the disulfide-containing ring being opened.
• US7425722B2
  申请人：——

  公开号：US7425722B2

  公开（公告）日：2008-09-16
• US7816679B2
  申请人：——

  公开号：US7816679B2

  公开（公告）日：2010-10-19