7-mercapto-2,5-dithioxobenzo<1,2-d:3,4-d'>bis<1,3>dithiole-8-thiolate | 134172-93-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 7-mercapto-2,5-dithioxobenzo<1,2-d:3,4-d'>bis<1,3>dithiole-8-thiolate
• 英文别名: pyridinium 7-mercapto-2,5-dithioxobenzo[1,2-d:3,4-d"]bis[1,3]-dithiole-8-thiolate；Pyridinium-1,3,4,6-tetrathia-as-indacen-2,5-dithion-8-thiol-7-thiolat；4,5-bis(sulfanyl)-[1,3]dithiolo[4,5-g][1,3]benzodithiole-2,7-dithione;pyridine
• CAS: 134172-93-3
• 化学式: C₅H₅N*C₈H₂S₈
• 分子量: 433.733
• InChiKey: JWQNQMVYQYUSQJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.36
• 重原子数：
  22.0
• 可旋转键数：
  0.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  12.89
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  7-mercapto-2,5-dithioxobenzo<1,2-d:3,4-d'>bis<1,3>dithiole-8-thiolate 在 盐酸 、 sodium hydroxide 作用下， 以 甲醇 为溶剂， 以94%的产率得到7,8-Dimercapto-1,3,4,6-tetrathia-as-indacen-2,5-dithion
  参考文献：
  名称：

  Alkylthio-substituierte Bis(benzol-1,2-dithiolato)zinkate, Benzol-1,2-dithiole und -1,2-dithiolate - Edukte f�r Dibenzo[c,g](1,2,5,6)tetrathiocine und Benzo[c](1,2,3)-trithiole; Untersuchungen zu Benzodithieten und ortho-Dithiobenzochinonen

  摘要：

  Using benzenehexathiolate 1 it is possible to synthesize alkylthio-substituted benzo-1,3-dithiole-2-thiones 2, or -ones 3 and benzo-di(1,3-dithiole-2-thiones) 4, or -ones 5, resp., which were cleaved under basic conditions. The generated benzene-1,2-dithiolates 7 were isolated as benzenedithiolato zincates 8, benzene-1,2-dithioles 11, and benzene-1-thiole-2-thiolates 10. Dibenzo[c,g](1,2,5,6)-tetrathiocins 9 were synthesized by oxidation of 7 or 8 in good yields. For the per(methylthio)-substituted tetrathiocin 9a the twist conformation was proved by x-ray structure analysis.The tetrathiocin 9a was probably formed via the orthodithiobenzoquinone 13a. Photolysis of 3a at room temperature in solution led to 9a and tetrakis(methylthio)benzo[c] (1,2,3)trithiole 12a as the main product, which was also formed by irradiation of 9a. The trithioles 12 were formed from 8 by reaction with sulfur dichloride. 12a was investigated by x-ray structure analysis. ortho-Dithiobenzoquinone 13c can be claimed as an intermediate upon irradiation of benzo-1,3-dithiol-2-one 3c in an argon matrix at 10 K. Depending on the wavelength the equilibrium lies either on the side of dithiobenzoquinone 13c or benzodithiete 14c. The same is true for system 15/16, which can be reached by flash vacuum pyrolysis of 3c.

  DOI：

  10.1002/prac.19943360512
• 作为产物：
  描述：

  吡啶 、 二硫化碳 、 苯六硫酚 反应 0.25h， 以97%的产率得到7-mercapto-2,5-dithioxobenzo<1,2-d:3,4-d'>bis<1,3>dithiole-8-thiolate
  参考文献：
  名称：

  Organic Electronic Conductors and Precursors;¹Reaction of Hexasodium Benzene-hexathiolate and Benzenehexathiol with Carbon Disulfide

  摘要：

  六钠苯六硫醇（1）和苯六硫醇（7）与二硫化碳的反应被研究。根据反应条件和1或7与二硫化碳的摩尔比，可以得到1,3-苯并二硫杂环戊-2-硫酮（6）、2,6-二硫杂苯并[1,2-d:4,5-d']（5）、2,5-二硫杂苯并[1,2-d:3,4-d']双[1,3]二硫杂环戊（9）或2,5,8-三硫杂苯三[1,3]二硫杂环戊（2）。

  DOI：

  10.1055/s-1990-27120

文献信息

• Long Coherence Times in Nuclear Spin-Free Vanadyl Qubits
  作者：Chung-Jui Yu、Michael J. Graham、Joseph M. Zadrozny、Jens Niklas、Matthew D. Krzyaniak、Michael R. Wasielewski、Oleg G. Poluektov、Danna E. Freedman

  DOI：10.1021/jacs.6b08467

  日期：2016.11.9

  pulsed electron paramagnetic resonance (EPR) spectroscopy and compared the performance of these species with our recently reported set of vanadium tris(dithiolene) complexes. Crucially we demonstrate that solutions of 1-4 in SO2, a uniquely polar nuclear spin-free solvent, reveal T2 values of up to 152(6) μs, comparable to the best molecular qubit candidates. Upon transitioning to vanadyl species from the

  量子信息处理 (QIP) 提供了在从量子生物学到密码学等领域创造新领域的潜力。电子自旋量子位的两个关键品质因数（QIP 的最小单位）是相干时间 (T2)、量子位的寿命和自旋晶格弛豫时间 (T1)，即 T2 的热定义上限。为了实现 QIP，需要具有长相干时间的可处理量子位。最近对钒基量子位 (Ph4P-d20)2[V(C8S8)3] 的研究表明，在具有无核自旋环境的过渡金属配合物中可以实现毫秒 T2 时间。将这些原理应用于氧钒基复合物提供了一种途径，可以将先前建立的扁平氧钒基结构的表面相容性与长 T2 相结合。为此，我们研究了一系列四个量子位，(Ph4P)2[VO(C8S8)2] (1), (Ph4P)2[VO(β-C3S5)2] (2), (Ph4P)2[VO(α- )2] (3), 和(Ph4P)2[VO(C3S4O)2] (4)，通过脉冲电子顺磁共振 (EPR) 光谱并将这些物种
• RICHTER, A. M.;BEYE, N.;FANGHANEL, E., SYNTHESIS,(1990) N2, C. 1149-1151
  作者：RICHTER, A. M.、BEYE, N.、FANGHANEL, E.

  DOI：——

  日期：——