1,1-Diethoxy-1-ethylsulfanyl-ethane | 68058-53-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫代缩醛
• 英文名称: 1,1-Diethoxy-1-ethylsulfanyl-ethane
• 英文别名: 1,1-Diethoxy-1-(ethylthio)ethane；1,1-diethoxy-1-ethylsulfanylethane
• CAS: 68058-53-7
• 化学式: C₈H₁₈O₂S
• 分子量: 178.296
• InChiKey: DITBNWASEYIFQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  43.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,1-Diethoxy-1-ethylsulfanyl-ethane 、 (R)-1-((R)-6-Methyl-1-oxa-4-thia-spiro[4.5]dec-6-en-7-yl)-ethanol 以 甲苯 为溶剂， 反应 7.0h， 生成 [(5S,6R)-7-Eth-(E)-ylidene-6-methyl-1-oxa-4-thia-spiro[4.5]dec-6-yl]-acetic acid ethyl ester
  参考文献：
  名称：

  2-(7-Ethylidene-6-methyl-1-oxa-4-thiaspiro[4.5]dec-7-yl)ethanol

  摘要：

  The crystal of the title compound, C13H22O2S, has two independent molecules in the asymmetric unit. The molecular dimensions are normal. Molecules are linked into chains along the b direction by O-H ... O hydrogen ponds, with O ... O distances of 2.655 (5) and 2.693 (5) Angstrom.

  DOI：

  10.1107/s010827019800780x

文献信息

• 2-(7-Ethylidene-6-methyl-1-oxa-4-thiaspiro[4.5]dec-7-yl)ethanol
  作者：M. Parvez、V. K. Yadav、D. A. Jeyaraj

  DOI：10.1107/s010827019800780x

  日期：1998.11.15

  The crystal of the title compound, C13H22O2S, has two independent molecules in the asymmetric unit. The molecular dimensions are normal. Molecules are linked into chains along the b direction by O-H ... O hydrogen ponds, with O ... O distances of 2.655 (5) and 2.693 (5) Angstrom.