{1,2-benzenedithiolate-(2-)-S,S'}bis(methyl-1,3-dithia-benzo{c}-2-stannolanyl) | 137758-74-8

• 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: {1,2-benzenedithiolate-(2-)-S,S'}bis(methyl-1,3-dithia-benzo{c}-2-stannolanyl)
• 英文别名: 2-Methyl-2-[2-[(2-methyl-1,3,2-benzodithiastannol-2-yl)sulfanyl]phenyl]sulfanyl-1,3,2-benzodithiastannole；2-methyl-2-[2-[(2-methyl-1,3,2-benzodithiastannol-2-yl)sulfanyl]phenyl]sulfanyl-1,3,2-benzodithiastannole
• CAS: 137758-74-8
• 化学式: C₂₀H₁₈S₆Sn₂
• 分子量: 688.179
• InChiKey: VIXBNJPDBQJVAV-UHFFFAOYSA-H

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  152
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  三氯甲基锡 、 1,2-苯二硫醇 在 NaOH 作用下， 以 水 为溶剂， 生成 {1,2-benzenedithiolate-(2-)-S,S'}bis(methyl-1,3-dithia-benzo{c}-2-stannolanyl)
  参考文献：
  名称：

  Synthesis and crystal structure of [1,2-benzenedithiolate-(2—)-S, S′]bis{methyl-1,3-dithia-benzo[c]-2-stannolanyl}, [(CH3Sn)2(C6H4S2)3]

  摘要：

  The reaction of sodium 1,2-benzenedithiolate with methyltin trichloride in water gives the benzenedithiolate of methyltin(IV) as a yellow precipitate. The structure of this compound has been determined by single-crystal X-ray diffractometry. The molecule consists of two benzo[c]1,2,3-dithia-stannolanyl moieties held together by a bridging benzene-1,2-dithiolate ligand. The geometry about the tin could be described as distorted tetrahedral, even if in view of the short intramolecular Sn...S contacts the structure is better regarded as involving pentacoordinate tin in a distorted trigonal bypyramid.

  DOI：

  10.1016/0022-328x(91)80133-5

文献信息

• Synthesis and crystal structure of [1,2-benzenedithiolate-(2—)-S, S′]bis{methyl-1,3-dithia-benzo[c]-2-stannolanyl}, [(CH3Sn)2(C6H4S2)3]
  作者：Valerio Peruzzo、Gualtiero Plazzogna、Giuliano Bandoli

  DOI：10.1016/0022-328x(91)80133-5

  日期：1991.9

  The reaction of sodium 1,2-benzenedithiolate with methyltin trichloride in water gives the benzenedithiolate of methyltin(IV) as a yellow precipitate. The structure of this compound has been determined by single-crystal X-ray diffractometry. The molecule consists of two benzo[c]1,2,3-dithia-stannolanyl moieties held together by a bridging benzene-1,2-dithiolate ligand. The geometry about the tin could be described as distorted tetrahedral, even if in view of the short intramolecular Sn...S contacts the structure is better regarded as involving pentacoordinate tin in a distorted trigonal bypyramid.