4-Octylmercapto-acetanilid | 27978-22-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-Octylmercapto-acetanilid
• 英文别名: N-(4-octylsulfanylphenyl)acetamide
• CAS: 27978-22-9
• 化学式: C₁₆H₂₅NOS
• 分子量: 279.447
• InChiKey: MBBSHTHVTFHDSA-UHFFFAOYSA-N

物化性质

• 沸点：
  446.7±28.0 °C(Predicted)
• 密度：
  1.02±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  19.0
• 可旋转键数：
  9.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  29.1
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  4-Octylmercapto-acetanilid 在 盐酸 、 乙醇 作用下， 以 CH₃Cl 为溶剂， 生成
  参考文献：
  名称：

  Switchable Columnar Phase Formed from Bent-Shaped Molecules with Low Bent-Angle Naphthalene Central Core and Alkylthio Tail

  摘要：

  Novel low-angle bent molecules with 1,7-naphthalene central core and alkylthio tails form the hexagonal columnar phase as well as the well-known B4 phase. The columnar phase has a large two-dimensional hexagonal lattice of 65-70 angstrom and exhibits the antiferroelectric switching with the spontaneous polarization along the column axis. The column is considered to be constructed by the cylindrically enclosed layer.

  DOI：

  10.1080/15421406.2011.581531
• 作为产物：
  描述：

  1-溴辛烷 、 4-乙酰氨基苯硫酚 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 生成 4-Octylmercapto-acetanilid
  参考文献：
  名称：

  Switchable Columnar Phase Formed from Bent-Shaped Molecules with Low Bent-Angle Naphthalene Central Core and Alkylthio Tail

  摘要：

  Novel low-angle bent molecules with 1,7-naphthalene central core and alkylthio tails form the hexagonal columnar phase as well as the well-known B4 phase. The columnar phase has a large two-dimensional hexagonal lattice of 65-70 angstrom and exhibits the antiferroelectric switching with the spontaneous polarization along the column axis. The column is considered to be constructed by the cylindrically enclosed layer.

  DOI：

  10.1080/15421406.2011.581531