thioformaldehyde S-methylide | 197161-24-3

• 分子结构分类: 有机化合物 - 有机硫化合物
• 英文名称: thioformaldehyde S-methylide
• 英文别名: carbon disulfide；thiirane；Bismethylenesulfide；dimethylidene-λ4-sulfane
• CAS: 197161-24-3；53283-20-8；119052-11-8
• 化学式: C₂H₄S
• 分子量: 60.1198
• InChiKey: BEKRQRZVOLTLCY-UHFFFAOYSA-N

物化性质

• 沸点：
  66.8±23.0 °C(Predicted)
• 密度：
  0.78±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  3
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  thioformaldehyde S-methylide 、 丁炔二酸二甲酯 生成 dimethyl 2,5-dihydrothiophene-3,4-dicarboxylate
  参考文献：
  名称：

  利用双（亚甲基）丁二酸酯的狄尔斯-阿尔德反应合成[60]富勒烯的二羧酸衍生物

  摘要：

  对C 60的[4 + 2]环加成反应应用有效生成双（亚甲基）丁二酸酯的3-环-3,4-二羧酸酯，得到全环己烯二羧酸酯，其中叔丁基酯水解为二羧酸衍生物，用于进一步转化为其酸酐和半酯。

  DOI：

  10.1016/s0040-4039(00)00122-2
• 作为产物：
  描述：

  bis(trimethylsilylmethyl)sulfoxide 以 六甲基磷酰三胺 为溶剂， 生成 thioformaldehyde S-methylide 、
  参考文献：
  名称：

  从双（三甲基甲硅烷基甲基）亚砜中释放出二硅氧烷，生成硫代羰基烷基化物

  摘要：

  已经发现了通过从双（三甲基甲硅烷基甲基）亚砜（1）中释放二硅氧烷来产生硫代羰基内酯的新颖且通用的方法。还证明了该方法用于产生脂族和芳族硫醛S-甲基化物。

  DOI：

  10.1016/s0040-4039(00)84905-9

文献信息

• Synthesis of fusidic acid bioisosteres as antiplasmodial agents and molecular docking studies in the binding site of elongation factor-G
  作者：Gurminder Kaur、Kawaljit Singh、Elumalai Pavadai、Mathew Njoroge、Marlene Espinoza-Moraga、Carmen De Kock、Peter J. Smith、Sergio Wittlin、Kelly Chibale

  DOI：10.1039/c5md00343a

  日期：——

  Structural modifications through bioisosteric approach yielded fusidic acid analogues with 2–35 folds increase in antiplasmodial activity as compared to fusidic acid.

  通过生物等构替方法进行的结构修饰产生了富司酸类似物，其抗疟活性比富司酸提高了2-35倍。
• A pyridine adduct of bis(di-iso-butyldithiocarbamato-S,S′)cadmium(II): Multinuclear (13C, 15N, 113Cd) CP/MAS NMR spectroscopy, crystal and molecular structure, and thermal behaviour
  作者：Tatyana A. Rodina、Alexander V. Ivanov、Andrey V. Gerasimenko、Maxim A. Ivanov、Anna S. Zaeva、Tatyana S. Philippova、Oleg N. Antzutkin

  DOI：10.1016/j.ica.2011.01.006

  日期：2011.3

  Crystalline bis(N, N-di-iso-butyldithiocarbamato-S,S')(pyridine)cadmium(II) - adduct 1 was prepared and studied by means of multinuclear C-13, N-15, Cd-113 CP/MAS NMR spectroscopy, single-crystal X-ray diffraction and simultaneous thermal analysis (STA). In molecular structure 1, the cadmium atom coordinates with four sulphur atoms and one nitrogen atom of pyridine, forming a coordination polyhedron [CdS4N], whose geometry is an almost ideal tetragonal pyramidal (C-4v). The coordinated py molecule is in the apical position, while two structurally non-equivalent di-iso-butyldithiocarbamate ligands, playing the same terminal S,S'-chelating function, define the basal plane. To characterise additionally the structural state of the cadmium atom in this fivefold coordination, Cd-113 chemical shift anisotropy (CSA) parameters, delta(aniso) and eta, were calculated from experimental MAS NMR spectra that revealed an almost axially symmetric Cd-113 chemical shift tensor. From a combination of TG and DSC measurements taken under an argon atmosphere, we found that the mass of adduct 1 is lost in two steps involving initial desorption of coordinated py molecules with subsequent thermal destruction of liberated cadmium(II) di-iso-butyldithiocarbamate, with yellow-orange, fine-powdered solid CdS as the final product. (C) 2011 Elsevier B.V. All rights reserved.