2-[4,5-bis(methylthio)-1,3-dithiole-2-ylidene]-5-(prop-2-yn-1-yl)-(1,3)-dithiolo[4,5-c]pyrrole | 1301208-84-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-[4,5-bis(methylthio)-1,3-dithiole-2-ylidene]-5-(prop-2-yn-1-yl)-(1,3)-dithiolo[4,5-c]pyrrole
• 英文别名: MPTTF；2-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-prop-2-ynyl-[1,3]dithiolo[4,5-c]pyrrole；2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-prop-2-ynyl-[1,3]dithiolo[4,5-c]pyrrole
• CAS: 1301208-84-3
• 化学式: C₁₃H₁₁NS₆
• 分子量: 373.633
• InChiKey: YRTVCHRAXLLAQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  157
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-溴丙炔 、 2-[4,5-bis(methylthio)-1,3-dithiole-2-ylidene]-(1,3)-dithiolo[4,5-c]pyrrole 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 、 mineral oil 为溶剂， 反应 1.0h， 以59%的产率得到2-[4,5-bis(methylthio)-1,3-dithiole-2-ylidene]-5-(prop-2-yn-1-yl)-(1,3)-dithiolo[4,5-c]pyrrole
  参考文献：
  名称：

  Molecular Logic Gates Using Surface-Enhanced Raman-Scattered Light

  摘要：

  A voltage-activated molecular-plasmonics device was created to demonstrate molecular logic based on resonant surface-enhanced Raman scattering (SERS). SERS output was achieved by a combination of chromophore plasmon coupling and surface adsorption at the interface between a solution and a gold nanodisc array. The chromophore was created by the self-assembly of a supramolecular complex with a redox-active guest molecule. The guest was reversibly oxidized at the gold surface to the +1 and +2 oxidation states, revealing spectra that were reproduced by calculations. State-specific SERS features enabled the demonstration of a multigate logic device with electronic input and optical output.

  DOI：

  10.1021/ja200992x

文献信息

• Molecular Logic Gates Using Surface-Enhanced Raman-Scattered Light
  作者：Edward H. Witlicki、Carsten Johnsen、Stinne W. Hansen、Daniel W. Silverstein、Vincent J. Bottomley、Jan O. Jeppesen、Eric W. Wong、Lasse Jensen、Amar H. Flood

  DOI：10.1021/ja200992x

  日期：2011.5.18

  A voltage-activated molecular-plasmonics device was created to demonstrate molecular logic based on resonant surface-enhanced Raman scattering (SERS). SERS output was achieved by a combination of chromophore plasmon coupling and surface adsorption at the interface between a solution and a gold nanodisc array. The chromophore was created by the self-assembly of a supramolecular complex with a redox-active guest molecule. The guest was reversibly oxidized at the gold surface to the +1 and +2 oxidation states, revealing spectra that were reproduced by calculations. State-specific SERS features enabled the demonstration of a multigate logic device with electronic input and optical output.