2,3-(2,3-dithiabutane-1,4-diyl)-6,7-bis(methylsulfanyl)tetrathiafulvalene | 190835-64-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二噻英
• 英文名称: 2,3-(2,3-dithiabutane-1,4-diyl)-6,7-bis(methylsulfanyl)tetrathiafulvalene
• 英文别名: 2-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-4,7-dihydro-[1,3]dithiolo[4,5-d]dithiine
• CAS: 190835-64-4
• 化学式: C₁₀H₁₀S₈
• 分子量: 386.717
• InChiKey: FRKGEZRSROQOTG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  202
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2,3-(2,3-dithiabutane-1,4-diyl)-6,7-bis(methylsulfanyl)tetrathiafulvalene 在 tert-butylammonium hexafluorophosphate(V) 作用下， 以 氯苯 为溶剂， 生成
  参考文献：
  名称：

  Studies of the First S-Position Isomer of Bis(ethylenedithio)tetrathiafulvalene

  摘要：

  DOI：

  10.1002/anie.199708781
• 作为产物：
  描述：

  1,3-二硫杂环戊二烯-2-硫酮-4,5-二甲酸二甲酯 在 sodium tetrahydroborate 、 air 、 氯化铵 、 N,N-二甲基甲酰胺二乙基缩醛 、 lithium chloride 、 zinc(II) chloride 、 三甲氧基磷 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 2,3-(2,3-dithiabutane-1,4-diyl)-6,7-bis(methylsulfanyl)tetrathiafulvalene
  参考文献：
  名称：

  Studies of the First S-Position Isomer of Bis(ethylenedithio)tetrathiafulvalene

  摘要：

  DOI：

  10.1002/anie.199708781

文献信息

• Solid-State Transformations of Zinc 1,4-Benzenedicarboxylates Mediated by Hydrogen-Bond-Forming Molecules
  作者：Mark Edgar、Robert Mitchell、Alexandra M. Z. Slawin、Philip Lightfoot、Paul A. Wright

  DOI：10.1002/1521-3765(20011203)7:23<5168::aid-chem5168>3.0.co;2-s

  日期：2001.12.3

  The zinc 1,4-benzenedicarboxylates [Zn3(bdc)3(H2O)3] . 4 DMF (1; bdc = 1,4-benzenedicarboxylate), [Zn(bdc)(H2O)] . DMF (2), and [Zn(bdc)] DMF (3) crystallise at room temperature from mixtures of toluene/ dimethylformamide (DMF) under concentrated, dilute and dry conditions, respectively. The structure of phase 1 (monoclinic: P2(1)/c, a 13.065(1), b = 9.661(1), c = 18.456(1) A, beta = 106.868(2) degrees) consists of layers containing stacks of three zinc cations linked by mono- and bidentate bdc groups. Structure 1 converts to the known phase 2 by an irreversible, reconstructive phase transformation, whereas 2 and 3 interconvert reversibly upon the loss or addition of water. Removal of all solvent molecules included during crystallisation gives poorly crystalline [Zn(bdc)] (4), which is readily converted to highly crystalline solids upon contact with hydrogen-bond-forming molecules such as water, DMF and small alcohols. The crystal structures of the mono- and dihydrates [Zn(bdc)(H2O)] (6) and [Zn(bdc)-(H2O)2] (7) have been determined ab initio from powder X-ray diffraction data (compound 6, monoclinic: C2/c, a = 17.979(1), b = 6.352(1), c = 7.257(1) A, beta=91.477(1) compound 7, monoclinic: C2/c, a = 14.992(1), b = 5.0303(2), c = 12.098(1) A, beta = 103.82(1) degrees). The methanol adduct [Zn3(bdc)3] . 6CH3OH (5) is the same as that prepared previously by direct crystallisation. Comparison of these adduct structures with those prepared directly reveal that they are formed by in situ recrystallisations. Subsequent removal of included molecules gives amorphous [Zn(bdc)], which can be recrystallised again when placed in contact with hydrogen-bond-forming molecules.
• Studies of the First S-Position Isomer of Bis(ethylenedithio)tetrathiafulvalene
  作者：Piétrick Hudhomme、Philippe Blanchard、Marc Sallé、Soazig Le Moustarder、Amédée Riou、Michel Jubault、Alain Gorgues、Guy Duguay

  DOI：10.1002/anie.199708781

  日期：1997.5.2