1,3-dithiole-2-thione-4,5-dithiolate | 59089-88-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 1,3-dithiole-2-thione-4,5-dithiolate
• 英文别名: 1,3-dithiole-2-thione-4,5-dithiolate(2-)；2-Sulfanylidene-1,3-dithiole-4,5-dithiolate
• CAS: 59089-88-2
• 化学式: C₃S₅
• 分子量: 196.363
• InChiKey: JRFLUCRSZTXLKJ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  84.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1,3-dithiole-2-thione-4,5-dithiolate 生成 4,5-亚甲基二硫代-1,3-二硫杂环戊烯-2-硫酮
  参考文献：
  名称：

  Saito, Gunzi; Hayashi, Hitoshi; Enoki, Toshiaki, Molecular Crystals and Liquid Crystals (1969-1991), 1985, vol. 120, p. 341 - 344

  摘要：

  DOI：
• 作为产物：
  描述：

  二硫化碳 在 sodium 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1,3-dithiole-2-thione-4,5-dithiolate
  参考文献：
  名称：

  Steimecke, Guenter; Sieler, Hans-Joachim; Kirmse, Reinhard, Phosphorus and Sulfur and the Related Elements, 1981, vol. 12, p. 237 - 248

  摘要：

  DOI：

文献信息

• Chiral metals? A chiral substrate for organic conductors and superconductors
  作者：John D. Wallis、Andreas Karrer、Jack D. Dunitz

  DOI：10.1002/hlca.19860690110

  日期：1986.2.5

  Chiral metals are so far practically unknown. The synthesis of a chiral substrate for possible organic conductors and superconductors is described.

  迄今为止，手性金属实际上是未知的。描述了用于可能的有机导体和超导体的手性底物的合成。
• Crystal structure and magnetic properties of two salts of nickel-bis-1,2-dithiolene with ammonium organic cation
  作者：Xuan-Rong Chen、Wei-Yang Hu、Xiao-Yi Xu、Fang-Fang Ren

  DOI：10.1016/j.poly.2018.10.047

  日期：2019.1

  Abstract Two nickel-bis-1,2-dithiolene salts, [(n-Bu)Et3N][Ni(mnt)2] (1) and [(n-Bu)Et3N][Ni(dmit)2] (2) (mnt2− = maleonitriledithiolate, dmit2− = 4,5-di(thiobenzoyl)-1,3-dithiole-2-thione), (n-Bu)Et3N+ = triethylbutylammonium), were synthesized and characterized by IR spectra, thermal analysis and single crystal structures. The two salts crystallize in monoclinic space group C2/c and P2(1)/n with

  摘要两种镍双-1,2-二硫代镍盐[[（n-Bu）Et3N] [Ni（mnt）2]（1）和[（n-Bu）Et3N] [Ni（dmit）2]（2）合成了（mnt2--顺丁烯二腈，dmit2- = 4,5-二（硫代苯甲酰基）-1,3-二硫代-2-硫酮），（n-Bu）Et3N + =三乙基丁基铵）并通过红外光谱，热分析和单晶结构。这两种盐在单斜空间群C2 / c和P2（1）/ n中结晶，其分子式和参数为C18H24N5NiS4，a = 29.109（3）A，b = 7.7083（9）A，c = 22.318（3）A和293 K时1与C16H24NNiS10的β= 108.885（3）°，a = 8.1501（15）A，b = 27.239（5）A，c = 12.064（2）A和β= 103.354（6）°2 293K。此外，两种盐具有相似的堆积结构，并且1中的阴离子和阳离子沿b轴方向排列成柱状堆栈
• 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：——
• Synthesis and characterisation of two dimeric mixed-ligand cadmium(II) complexes with 1,3-dithiole-2-thione-4,5-dithiolate and diimines
  作者：Li-Li Wen、Zheng-He Peng、Bing-Guang Zhang、Yun-Hong Zhou

  DOI：10.1016/j.molstruc.2004.03.039

  日期：2004.6

  Two dimeric mixed-ligand cadmium(II) complexes, [Cd(dmit)(bipy)](2) (1), [Cd(dmit)(phen)](2) (2), where dmit(2-) = 1,3-dithiole-2-thione-4,5-dithiolate(2 -), bipy = 2,2'-bipyridine, phen = 1,10-phenanthroline, have been synthesized and characterized by infrared spectrum, UV-vis, H-1 NMR and X-ray structure analyses. Complex 1 is monoclinic, P2(1)/c, with a = 11.6128(14), b = 9.3967(12), c = 14.7629(18) Angstrom, beta = 107.582(2)degrees, V = 1535.7(3) Angstrom(3), Z = 4, and D-c = 2.011 g/cm(3). Complex 2 is monoclinic, P2(1)/c, with a = 9.2924(12), b = 12.4663(11), c = 15.0116(15) Angstrom, beta = 105.403(4)degrees, V = 1676.5(3) Angstrom(3), Z = 4, D-c = 1.937 g/cm(3). Both dimers are extended into interesting one-dimensional supramolecular arrays by short (CdS)-S-... contacts and pi-pi stacking interactions among dmit2- groups. (C) 2004 Elsevier B.V. All rights reserved.
• A New Method to Synthesize Unsymmetrical Dithiolene Metal Complexes of 1,3-Dithiole-2-thione-4,5-dithiolate for Third-Order Nonlinear Optical Applications
  作者：Jie Dai、Guo-Qing Bian、Xin Wang、Qing-Feng Xu、Min-Yan Zhou、Megumu Munakata、Masahiko Maekawa、Ming-Hong Tong、Zhen-Rong Sun、He-Ping Zeng

  DOI：10.1021/ja001976e

  日期：2000.11.1