Pyrrolidin-1-yl[(4-sulfanylidene-1,3,2-dithiazol-5-yl)sulfanyl]methanone | 1257106-85-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: Pyrrolidin-1-yl[(4-sulfanylidene-1,3,2-dithiazol-5-yl)sulfanyl]methanone
• 英文别名: S-(5-sulfanylidene-1,3λ4-dithia-2-azacyclopenta-2,3-dien-4-yl) pyrrolidine-1-carbothioate
• CAS: 1257106-85-6
• 化学式: C₇H₈N₂OS₄
• 分子量: 264.417
• InChiKey: BBJNRKBSWPGUFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  116
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  四氢吡咯 、 5-oxo-[1,3]dithiolo[4,5-d][1,3,2]dithiazol-1-ium chloride 以 四氢呋喃 为溶剂， 以87%的产率得到Pyrrolidin-1-yl[(4-sulfanylidene-1,3,2-dithiazol-5-yl)sulfanyl]methanone
  参考文献：
  名称：

  [(4-Sulfanylidene-4H-1λ4,3,2-dithiazol-5-yl)sulfanyl]formic acid derivatives: synthesis from 5-oxo[1,3]dithiolo[4,5-d][1,3,2]dithiazol-1-ium chloride and structural characterization

  摘要：

  5-oxo[1,3]dithiolo[4,5-d][1,3,2]dithiazol-1-ium chloride was converted into [(4-Sulfanylidene-4H-1 lambda(4),3,2-dithiazol-5-yl)sulfanyl]formic acid esters and amides upon treatment with alcohols and amines, respectively; the structure of propyl [(4-Sulfanylidene-4H-1 lambda(4),3,2-dithiazol-5-yl)sulfanyl]formic was confirmed by X-ray diffraction

  DOI：

  10.1016/j.mencom.2010.09.014

文献信息

• [(4-Sulfanylidene-4H-1λ4,3,2-dithiazol-5-yl)sulfanyl]formic acid derivatives: synthesis from 5-oxo[1,3]dithiolo[4,5-d][1,3,2]dithiazol-1-ium chloride and structural characterization
  作者：Vadim V. Popov、Stanislav A. Amelichev、Lidia S. Konstantinova、Ivan V. Glukhov、Konstantin A. Lyssenko、Oleg A. Rakitin

  DOI：10.1016/j.mencom.2010.09.014

  日期：2010.9

  5-oxo[1,3]dithiolo[4,5-d][1,3,2]dithiazol-1-ium chloride was converted into [(4-Sulfanylidene-4H-1 lambda(4),3,2-dithiazol-5-yl)sulfanyl]formic acid esters and amides upon treatment with alcohols and amines, respectively; the structure of propyl [(4-Sulfanylidene-4H-1 lambda(4),3,2-dithiazol-5-yl)sulfanyl]formic was confirmed by X-ray diffraction