2-Methylsulfanyl-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-1-ylium | 105580-78-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-Methylsulfanyl-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-1-ylium
• 英文别名: 2-Methylsulfanyl-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-3-ium
• CAS: 105580-78-7
• 化学式: C₆H₇S₅
• 分子量: 239.452
• InChiKey: WTTJQFOBUDRLHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.01
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  132
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Methylsulfanyl-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-1-ylium 在 碘 、 三乙胺 、 亚磷酸三乙酯 作用下， 以 甲苯 为溶剂， 生成 3-{5-(2-Cyano-ethylsulfanyl)-2-[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-ethylidene]-[1,3]dithiol-4-ylsulfanyl}-propionitrile
  参考文献：
  名称：

  New extended analogues of TTF via triethylphosphite-mediated reaction

  摘要：

  New extended derivatives of TTF bearing cyanoethylsulfanyl or furan groups which cannot be obtained by Wittig-type reaction with Akiba's reagent have been synthesized using a clean, cheap-step and rapid methodology; their electrochemical and optical behavior are studied. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)00024-8

文献信息

• Synthesis and redox properties of substituted 1,4,2-dithiazines: X-ray crystal structure of 3-(4-methoxyphenyl)-5,6-dimethyl-1,4,2-dithiazine
  作者：Martin R. Bryce、Gordon R. Davison、Judith A. K. Howard、Andrei S. Batsanov

  DOI：10.1039/c39920000478

  日期：——

  The efficient synthesis of a range of novel 1,4,2-dithiazine derivatives by ring expansion of the corresponding 1,3-dithiolium cations in the presence of iodine and aqueous ammonia is reported; the eight π-electron 1,4,2-dithiazine ring is folded about the S ⋯ S axis, as shown by single crystal X-ray analysis, and the heterocycle is electrochemically oxidised to yield, sequentially, the radical cation and dication species.

  在碘和氨水的作用下，通过相应1,3-二硫鎓阳离子的环扩张，一系列新型1,4,2-二噻嗪衍生物的高效合成被报道；八π电子1,4,2-二噻嗪环围绕S ⋯ S轴折叠，如单晶X射线分析所示，杂环被电化学氧化，依次产生自由基阳离子和二阳离子。
• New extended analogues of TTF via triethylphosphite-mediated reaction
  作者：Philippe Leriche、Sophie Roquet、Nicolas Pillerel、Gilles Mabon、Pierre Frère

  DOI：10.1016/s0040-4039(03)00024-8

  日期：2003.2

  New extended derivatives of TTF bearing cyanoethylsulfanyl or furan groups which cannot be obtained by Wittig-type reaction with Akiba's reagent have been synthesized using a clean, cheap-step and rapid methodology; their electrochemical and optical behavior are studied. (C) 2003 Elsevier Science Ltd. All rights reserved.