4-(Tetradecylthio)-anilin | 116801-35-5

• 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-(Tetradecylthio)-anilin
• 英文别名: 4-Tetradecylsulfanylaniline
• CAS: 116801-35-5
• 化学式: C₂₀H₃₅NS
• 分子量: 321.571
• InChiKey: YXBXTFPWHJEGOF-UHFFFAOYSA-N

物化性质

• 熔点：
  45.1-47.2 °C(Solv: ethanol (64-17-5))
• 沸点：
  453.6±18.0 °C(Predicted)
• 密度：
  0.95±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  22
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  51.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  naphthalene-1,7-diyl bis(4-formylbenzoate) 、 4-(Tetradecylthio)-anilin 以 CH₃Cl 为溶剂， 生成 naphthalene-1,7-diyl bis(4-(((4-(tetradecylthio)phenyl)imino)methyl)benzoate)
  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：

  溴代十四烷 在 盐酸 、 乙醇 、 potassium carbonate 作用下， 以 丙酮 为溶剂， 生成 4-(Tetradecylthio)-anilin
  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

文献信息

• Synthesis and in vitro antifungal activity of 4-substituted phenylguanidinium salts
  作者：Gabriela Braunerová、Vladimír Buchta、Luis Silva、Jiří Kuneš、Karel Palát

  DOI：10.1016/j.farmac.2004.03.001

  日期：2004.6

  A series of 4-substituted phenylguanidinium derivatives was synthesized and its antimicrobial activity was evaluated in vitro against eight potentially pathogenic strains of fungi.
• Walsh; Wooldridge; Jackson, European Journal of Medicinal Chemistry, 1977, vol. 12, # 6, p. 495 - 500
  作者：Walsh、Wooldridge、Jackson、Gilmour

  DOI：——

  日期：——