(Z)-1-methylthio-1-triphenylstannyl-2-phenylethene | 222716-96-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (Z)-1-methylthio-1-triphenylstannyl-2-phenylethene
• CAS: 222716-96-3
• 化学式: C₂₇H₂₄SSn
• 分子量: 499.264
• InChiKey: LIGOPTRVBJJPOK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  methyl phenylethynyl sulfide 、 三苯基氢化锡 以 正己烷 为溶剂， 以60%的产率得到(Z)-1-methylthio-1-triphenylstannyl-2-phenylethene
  参考文献：
  名称：

  (Z)- and (E)-1-methylthio-1-triphenylstannyl-2-phenylethene

  摘要：

  The structures of the title compounds, (Z)-Ph3Sn-C(SMe)=CHPh, (I), and (E)-Ph3Sn-C(SMe)=CHPh, (II) {both [Sn(C6H5)(3)(C9H9S)], (1-methylthio-2-phenylethenyl)triphenyltin}, were determined by single-crystal X-ray diffraction at room temperature. Both structures consist of discrete molecules in which the Sn atom is tetrahedrally coordinated by three phenyl groups and one 1-methylthio-2-phenylethenyl group. The planar ethenyl skeleton forms angles of 58.9(2) and 34.0(3)degrees with the 2-phenyl substituent in (I) and (II), respectively, excluding pi interactions between them. In Z-isomer (I), the methyl substituent on sulfur lies in the plane of the ethenyl group [torsion angle C-S-C=C 3.0 (5)degrees], but this is not the case in E-isomer (II), which reveals a torsion angle C-S-C=C of 156.1(8)degrees.

  DOI：

  10.1107/s0108270198015200