4,5-Bis-(2,4-dinitro-phenylsulfanyl)-[1,3]dithiole-2-thione | 138206-22-1

• 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-Bis-(2,4-dinitro-phenylsulfanyl)-[1,3]dithiole-2-thione
• 英文别名: 4,5-Bis[(2,4-dinitrophenyl)sulfanyl]-2H-1,3-dithiole-2-thione；4,5-bis[(2,4-dinitrophenyl)sulfanyl]-1,3-dithiole-2-thione
• CAS: 138206-22-1
• 化学式: C₁₅H₆N₄O₈S₅
• 分子量: 530.565
• InChiKey: DNEDCMFOUJGGLY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  317
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  4,5-Bis-(2,4-dinitro-phenylsulfanyl)-[1,3]dithiole-2-thione 以70%的产率得到
  参考文献：
  名称：

  Fang Qi, Qu Zheng, Yang Yao, Wang Hua-Qin, Sun Hong-Zhe, You Xiao-Zeng, Huaxue xuebao (Acta chim. sin), 52 (1994) N 2, S 138-143

  摘要：

  DOI：
• 作为产物：
  描述：

  4,5-双(苯甲酰硫基)-1,3-二硫杂环戊烯-2-硫酮 、 1-氯-2,4-二硝基苯 在 sodium ethanolate 作用下， 生成 4,5-Bis-(2,4-dinitro-phenylsulfanyl)-[1,3]dithiole-2-thione
  参考文献：
  名称：

  Fourier transform Raman spectroscopy of 1,3-dithiole-2-thione and related compounds

  摘要：

  The Raman spectra of 1,3-dithiole-2-thione and a series of related compounds were recorded on a fourier transform Raman spectrometer using near-infrared laser excitation. The spectra proved, with limited exception, to be of high quality. With the help of measured depolarisation ratios it has proved possible to make assignments for the stronger peaks in the spectrum of 1,3-dithiole-2-thione, thereby resolving ambiguities and disagreements in the results of previous workers. These assignments have been used to aid in the interpretation of the very characteristic spectra of substituted thiones. The value of these spectra for analytical purposes is discussed.

  DOI：

  10.1016/0584-8539(91)80209-2