4,5-(cis-1,2-cyclohexylenedithio)-1,3-dithiole-2-thione | 123405-77-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4,5-(cis-1,2-cyclohexylenedithio)-1,3-dithiole-2-thione
• 英文别名: (4aR,8aS)-4a,5,6,7,8,8a-hexahydro-[1,3]dithiolo[4,5-b][1,4]benzodithiine-2-thione
• CAS: 123405-77-6
• 化学式: C₉H₁₀S₅
• 分子量: 278.508
• InChiKey: YZDQGZSYEZNCLT-OLQVQODUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.05
• 重原子数：
  14.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  4,5-(cis-1,2-cyclohexylenedithio)-1,3-dithiole-2-thione 在 mercury(II) diacetate 、 亚磷酸三乙酯 作用下， 以 氯仿 、 溶剂黄146 为溶剂， 反应 7.0h， 生成 bis(1,2-cyclohexylenedithio)tetrathiafulvalene
  参考文献：
  名称：

  双（1,2-环亚戊二硫基）-和双（1,2-亚环己基二硫基）四硫富瓦烯

  摘要：

  DOI：

  10.1007/bf00486795
• 作为产物：
  描述：

  环己烯 、 alkaline earth salt of/the/ methylsulfuric acid 以 苯 为溶剂， 反应 5.0h， 以48%的产率得到4,5-(cis-1,2-cyclohexylenedithio)-1,3-dithiole-2-thione
  参考文献：
  名称：

  双（1,2-环亚戊二硫基）-和双（1,2-亚环己基二硫基）四硫富瓦烯

  摘要：

  DOI：

  10.1007/bf00486795

文献信息

• Cyclohexylenedithio Annelated Bis-Fused TTF Donors and Their Conducting Salts
  作者：Minoru Ashizawa、Masanobu Aragaki、Takehiko Mori、Yohji Misaki、Tokio Yamabe

  DOI：10.1246/cl.1997.649

  日期：1997.7

  Bis-fused TTF(tetrathiafulvalene) derivatives with a cyclohexane ring 1a-c have been synthesized. One of their radical-cation salts (1b)2Au(CN)2 exhibits high conductivity σrt=160 Scm−1 and is metallic down to 120 K. Its structure consists of weakly dimerized columns with relatively small intercolumnar interactions.

  具有环己烷环的双联四硫富瓦烯 (TTF) 衍生物 1a-c 已被合成。它们其中一种自由基阳离子盐 (1b)2Au(CN)2 表现出高导电性 σrt=160 Scm−1，并且在 120 K 以下仍保持金属性。其结构由弱二聚化的柱组成，柱间相互作用相对较小。
• Synthesis, structure and optical limiting effect of two new nickel complexes containing strongly bound geometrically fixed multi‐sulfur 1,2‐dithiolene ligands showing remarkable near‐IR absorption
  作者：Jun‐Feng Bai、Jing‐Lin Zuo、Wei‐Lian Tan、Wei Ji、Zhen Shen、Hoong‐Kun Fun、Kandasamy Chinnakali、Ibrahim Abdul Razak、Xiao‐Zeng You、Chi‐Ming Che

  DOI：10.1039/a902295c

  日期：——

  Two new nickel complexes containing strongly bound multi-sulfur 1,2-dithiolene ligands, [NBu 4 ][Ni(bddt) 2 ] 1 and [Ni(bddt) 2 ] 2 (bddt = 4a,5,6,7,8,8a-hexahydro-1,4-benzodithiin-2,3-dithiolate), have been synthesized and characterized by electrochemical measurements, IR and UV–VIS–NIR spectroscopies. The optical limiting properties of these nickel complexes have been determined with 32 ps laser pulses of 532 nm wavelength. The limiting thresholds of 1 and 2 are ca. 0.6 and 0.7 J cm –2 , respectively, which are comparable to that observed in C 60 . Such results show that the nickel dithiolene complexes may be new candidates for optical limiting applications. In addition, the neutral complex [Ni(bddt) 2 ] 2, which shows remarkable absorption in the near-IR region (ε = 63 000 dm 3  mol –1  cm –1 at 1035 nm) and is an excellent candidate as a near-IR dye for Q-switching neodymium lasers, has been additionally characterized by X-ray diffraction.

  通过电化学测量、红外光谱和紫外-可见-近红外光谱，合成并表征了两种含有强结合多硫 1,2 二硫环配体的新镍络合物，即 [NBu 4 ][Ni(bddt) 2 ] 1 和 [Ni(bddt) 2 ] 2（bddt = 4a,5,6,7,8,8a-六氢-1,4-苯并二硫杂-2,3-二硫酸盐）。利用波长为 532 nm 的 32 ps 激光脉冲测定了这些镍络合物的光学极限特性。1 和 2 的极限阈值分别约为 0.6 和 0.7 J。1 和 2 的极限阈值分别约为 0.6 和 0.7 J cm -2，与在 C 60 中观察到的阈值相当。这些结果表明，二硫环戊烯镍络合物可能是光学限幅应用的新候选材料。此外，中性络合物 [Ni(bddt) 2 ] 2 在近红外区域显示出显著的吸收（ε = 63 000 dm 3 mol -1 cm -1 ，波长 1035 nm），是 Q 开关钕激光器近红外染料的极佳候选物。
• NEJLAND, O. YA.;KATSENS, YA. YA.;KREJTSBERGA, YA. N., ZH. ORGAN. XIMII, 25,(1989) N, S. 658-660
  作者：NEJLAND, O. YA.、KATSENS, YA. YA.、KREJTSBERGA, YA. N.

  DOI：——

  日期：——
• ——
  作者：Jun-Feng Bai、Jing-Lin Zuo、Fa-Nian Shi、Rui Jin、Zhen Shen、Xiao-Zeng You

  DOI：10.1023/a:1009536206989

  日期：——

  The x-ray crystal structure of 4,5-(cis-cyclohexylenedithio)-1,3-dithiole-2-one has been determined. Yellow block shaped crystals of C9H10OS4 crystallize in the space group P (1) over bar with cell dimensions a = 8.872(4), b = 9.330(8), c = 14.333(12) Angstrom, alpha = 95.23(7), beta = 91.09(5), gamma = 107.60(5)degrees, V = 1124.8(14) Angstrom(3), and Z = 4. This compound has two S---S contacts [3.574, 3.610 Angstrom] shorter than 3.70 Angstrom and the usual disordered ethylene moiety [C(3)- C(8)] of the six-membered ring is fixed by the cis-cyclohexylene subsitituent. This means that it may be a new precursor for conducting and strong near-IR absorbing nickel-dithiolenes. Also, it provides the first example of polymorphism of the dmit derivatives and contains two independent molecules I and II in the asymmetric unit.