1,12-bis-carbamimidoylmercapto-dodecane | 62476-83-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 异硫脲类
• 英文名称: 1,12-bis-carbamimidoylmercapto-dodecane
• 英文别名: S,S'-Dodecandiyl-bis-isothioharnstoff；2,15-Dithia-hexadecandiamidin；1,12-Bis-carbamimidoylmercapto-dodecan；12-Carbamimidoylsulfanyldodecyl carbamimidothioate
• CAS: 62476-83-9
• 化学式: C₁₄H₃₀N₄S₂
• 分子量: 318.551
• InChiKey: ACLRJYKDXMEGSE-UHFFFAOYSA-N

物化性质

• 沸点：
  458.7±51.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  20
• 可旋转键数：
  15
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  150
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,12-bis-carbamimidoylmercapto-dodecane 在 sodium hydroxide 作用下， 生成 1,12-二疏基十二烷
  参考文献：
  名称：

  Effect of Bond-Length Alternation in Molecular Wires

  摘要：

  Current-voltage (I-V) characteristics for metal-molecule-metal junctions formed from three classes of molecules measured with a simple crossed-wire molecular electronics test-bed are reported. Junction conductance as a function of molecular structure is consistent with I-V characteristics calculated from extended Hückel theory coupled with a Green's function approach, and can be understood on the basis of bond-length alternation.

  DOI：

  10.1021/ja027090n
• 作为产物：
  描述：

  1,12-十二烷二醇 、 硫脲 在 氢溴酸 作用下， 生成 1,12-bis-carbamimidoylmercapto-dodecane
  参考文献：
  名称：

  Effect of Bond-Length Alternation in Molecular Wires

  摘要：

  Current-voltage (I-V) characteristics for metal-molecule-metal junctions formed from three classes of molecules measured with a simple crossed-wire molecular electronics test-bed are reported. Junction conductance as a function of molecular structure is consistent with I-V characteristics calculated from extended Hückel theory coupled with a Green's function approach, and can be understood on the basis of bond-length alternation.

  DOI：

  10.1021/ja027090n

文献信息

• Dirscherl; Weingarten, Arzneimittel-Forschung/Drug Research, 1953, vol. 3, p. 545
  作者：Dirscherl、Weingarten

  DOI：——

  日期：——
• Effect of Bond-Length Alternation in Molecular Wires
  作者：James G. Kushmerick、David B. Holt、Steven K. Pollack、Mark A. Ratner、John C. Yang、Terence L. Schull、Jawad Naciri、Martin H. Moore、Ranganathan Shashidhar

  DOI：10.1021/ja027090n

  日期：2002.9.1

  Current-voltage (I-V) characteristics for metal-molecule-metal junctions formed from three classes of molecules measured with a simple crossed-wire molecular electronics test-bed are reported. Junction conductance as a function of molecular structure is consistent with I-V characteristics calculated from extended Hückel theory coupled with a Green's function approach, and can be understood on the basis of bond-length alternation.