bis(isopropylidenemethylenedithio)tetrathiafulvalene | 144000-04-4

• 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: bis(isopropylidenemethylenedithio)tetrathiafulvalene
• 英文别名: 5-propan-2-ylidene-2-(5-propan-2-ylidene-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole
• CAS: 144000-04-4
• 化学式: C₁₄H₁₂S₈
• 分子量: 436.777
• InChiKey: CZGYXOPAFUFEHJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.79
• 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：
  0.29
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  2-isopropylidene-1,3-dithiolo<4,5-d>-1,3-dithiol-2-one 在 亚磷酸三乙酯 作用下， 以47%的产率得到bis(isopropylidenemethylenedithio)tetrathiafulvalene
  参考文献：
  名称：

  Bis(2-methylidene-1,3-dithiolo[4,5-d])tetrathiafulvalene (BDT-TTF): A tetrathiafulvalene condensed with 1,3-dithiol-2-ylidene moieties

  摘要：

  Four alkyl derivatives of the title donor (1a-d) have been synthesized. The electrochemical properties investigated by cyclic voltammetry and the electrical conductivities of charge-transfer complexes with tetrafluoro-tetracyanoquinodimethane and 2-3-dichloro-5,6-dicyano-p-benzoquinone are also presented.

  DOI：

  10.1016/s0040-4039(00)74250-x

文献信息

• Stable molecular metals based on a novel unsymmetrical diselenadithiafulvalene
  作者：Shuji Aonuma、Yoshinori Okano、Hiroshi Sawa、Reizo Kato、Hayao Kobayashi

  DOI：10.1039/c39920001193

  日期：——

  Novel unsymmetrical π-electron donors have been synthesized and electrical conductivities of their radical cation salts have been studied: among them 4,5-ethylenedithio-4′,5′-(isopropylidenemethylenedithio)diselenadithiafulvalene salts are all metallic down to 4.2 K, and exhibit two-dimensional nature in the anisotropy of the conductivity.

  新型不对称π电子供体已被合成，并研究了其自由基阳离子盐的电导率：其中，4,5-乙烯二硫-4′,5′-(异丙基亚甲基二硫)二硒二硫富瓦烯盐在4.2 K下均呈现金属特性，并在电导率的各向异性中展现出二维特性。