1-Methyl-2-(methylthio)pyridinium iodide | 41681-14-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 1-Methyl-2-(methylthio)pyridinium iodide
• 英文别名: 2-Methylthiopyridine methiodide；1-methyl-2-methylsulfanylpyridin-1-ium;iodide
• CAS: 41681-14-5
• 化学式: C₇H₁₀NS*I
• 分子量: 267.134
• InChiKey: JGGMQEXWNGZQCC-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.76
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  29.2
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  1-Methyl-2-(methylthio)pyridinium iodide 生成 2-甲硫基吡啶
  参考文献：
  名称：

  Michaelis; Hoelken, Justus Liebigs Annalen der Chemie, 1904, vol. 331, p. 248

  摘要：

  DOI：
• 作为产物：
  描述：

  2-巯基吡啶 在 potassium carbonate 、 丙酮 作用下， 生成 1-Methyl-2-(methylthio)pyridinium iodide
  参考文献：
  名称：

  Renault, Annales de Chimie (Cachan, France), 1955, vol. <12> 10, p. 135,144

  摘要：

  DOI：

文献信息

• Structure of rhodanine cyanine dyes, spectroscopy and performance in photographic emulsions
  作者：Zheng-Hong Peng、Xiang-Feng Zhou、Suzanne Carroll、Herman J. Geise、Bi-xian Peng、Roger Dommisse、Eddy Esmans、Robert Carleer

  DOI：10.1039/jm9960601325

  日期：——

  The synthesis is reported of eight pyridine–, benzothiazole– and benzimidazole–rhodanine zeromethine merocyanines as blue–sensitising dyes (1–8), and of three benzoxazole-rhodanine dimethine merocyanines as green-sensitising dyes (9–11). The compounds were characterised from UV–VIS, mass spectroscopic and NMR data, and the purity of the products was analysed using HPLC. Oxidation potentials were measured using cyclic voltammetry. Ionisation potentials and electron affinities were obtained by semi-empirical MOPAC calculations. The charge-density distributions of the pyridine and benzothiazole rhodanine dyes are in agreement with assignments in NMR spectroscopy. A linear dependence is found between the oxidation potential and ionisation potential, as well as between the reduction potential and electron affinity. Reflection spectra of 6 and 7 coated on photographic emulsions showed J-aggregate absorption at λ= 450 and 465 nm, respectively. The sensitising properties of the merocyanine dyes were evaluated in actual photographic T-grain emulsions.

  报告了 8 种作为蓝色敏化染料的吡啶、苯并噻唑和苯并咪唑-罗丹宁零甲胺美拉德花青素（1-8）和 3 种作为绿色敏化染料的苯并恶唑-罗丹宁二甲胺美拉德花青素（9-11）的合成。根据紫外可见光谱、质谱和核磁共振数据对这些化合物进行了表征，并使用高效液相色谱分析了产品的纯度。使用循环伏安法测量了氧化电位。电离电位和电子亲和力是通过半经验 MOPAC 计算获得的。吡啶和苯并噻唑罗丹宁染料的电荷密度分布与核磁共振光谱的分配一致。氧化电位和电离电位之间以及还原电位和电子亲和力之间呈线性关系。涂在感光乳剂上的 6 和 7 的反射光谱显示，在 λ= 450 和 465 纳米处分别有 J-聚集吸收。在实际的照相 T 粒乳剂中对梅洛菁染料的敏化特性进行了评估。
• The synthesis, spectroscopic properties and crystal structures of some rhodanine merocyanine dyes for optical recording with a blue diode laser
  作者：Qi Liu、Xue Wang、Lan-Ying Wang、Yi-Le Fu、Xiang-Han Zhang

  DOI：10.1016/j.dyepig.2011.03.030

  日期：2011.12

  investigated. The structures of two dyes (5a and 5b) were characterized and analyzed by X-ray diffraction as well. Crystallographic data revealed that dye 5a belonged to tetragonal, I4 (1)/a space group, while dye 5b belonged to monoclinic, P-1 space group. In the case of both dyes, intermolecular associations occurred by π–π stacking and intermolecular hydrogen bonds, which contributed to stabilize the

  通过常规溶剂法和微波法，以罗丹宁，2-甲硫基季盐和1 H-吲哚-3-甲醛为起始原料，合成了六种若丹蓝花菁染料。使用UV-Vis，IR，MS，1 H NMR和元素分析鉴定产物。研究了染料在氯仿，DMSO，水，丙酮，乙醇和甲醇中的UV-Vis吸收光谱。两种染料（5a和5b）的结构也通过X射线衍射进行了表征和分析。晶体学数据表明，染料5a属于四角形I 4（1）/ a空间群，而染料5b属于单斜晶P-1个空间组。在两种染料的情况下，分子间缔合都是通过π-π堆积和分子间氢键发生的，这有助于稳定晶体结构。
• 777. Antituberculous compounds. Part X. Some reactions of quaternary compounds derived from NN-disubstituted thioamides
  作者：D. A. Peak、F. Stansfield

  DOI：10.1039/jr9520004067

  日期：——
• Fischer,O., Chemische Berichte, 1902, vol. 35, p. 3682
  作者：Fischer,O.

  DOI：——

  日期：——
• 375. The action of heat on heterocyclic bases containing an alkylthio-grouping. Part I. 2-Alkylthiobenzothiazoles and 2-alkylthio-benzoxazoles
  作者：D. J. Fry、J. D. Kendall

  DOI：10.1039/jr9510001723

  日期：——