[Dimethyl(propylsulfanylcarbothioylsulfanyl)germyl]sulfanyl-propylsulfanylmethanethione | 211302-09-9

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: [Dimethyl(propylsulfanylcarbothioylsulfanyl)germyl]sulfanyl-propylsulfanylmethanethione
• CAS: 211302-09-9
• 化学式: C₁₀H₂₀GeS₆
• 分子量: 405.255
• InChiKey: MXVDXRBGYVVERA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.01
• 重原子数：
  17
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  165
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [Dimethyl(propylsulfanylcarbothioylsulfanyl)germyl]sulfanyl-propylsulfanylmethanethione 以 氘代氯仿 为溶剂， 生成 二硫化碳 、
  参考文献：
  名称：

  Synthesis, spectroscopic characterization, and structural studies of organogermanium tri- and monothiocarbonates. Crystal structures of Me₂Ge[S₂CSEt]₂, Ph₃Ge[SCO₂Me], Ph₃Ge[SCO₂(i-Pr)], and Ph₂Ge[SCO₂Me]₂

  摘要：

  两系列S-烷基三硫代碳酸酯衍生物，Me2Ge[S2CSR]2和卤代二苯基锗，Ph2GeX[S2CSR]，其中R = Me，i-Pr，n-Pr，n-Bu，X = Cl，Br，以及三系列O-烷基单硫代碳酸酯衍生物，Ph3Ge[SCO2R]，Ph2Ge[SCO2R]和Me3Ge[SCO2R]，其中R = Me，i-Pr和n-Pr，通过将适当的三硫代碳酸或单硫代碳酸的钾盐或钠盐与二氯二甲基锗、氯三苯基锗、二氯二苯基锗和氯三甲基锗反应，以73-92%的产率制备。这些化合物主要通过红外、拉曼和1H和13C核磁共振光谱学进行表征，包括一些可变温度研究，以及质谱学。Me2Ge[S2CSEt]2，1：P21/m（编号11），晶胞参数a = 6.647(4) Å，b = 7.423(2) Å，c = 16.290(4) Å，β = 91.07(3)°，V = 803.6(4) Å3，Z = 2，R = 0.0484，Rw = 0.0485。Ph3Ge[SCO2Me]，13：P1bar（编号2），晶胞参数a = 9.970(4) Å，b = 10.660(3) Å，c = 9.853(2) Å，α = 101.78(2)°，β = 109.98(2)°，γ = 89.76(3)°，V = 961.0(5) Å3，Z = 2，R = 0.0534，Rw = 0.0451。Ph3Ge[SCO2(i-Pr)]，14：P 1bar（编号2），晶胞参数a = 14.386(7) Å，b = 18.598(6) Å，c = 9.223(3) Å，α = 102.85(3)°，β = 94.58(3)°，γ = 108.13(3)°，V = 2256(1) Å3，Z = 2，R = 0.0545，Rw = 0.0552。Ph2Ge[SCO2Me]2，16：Cc，（编号9），晶胞参数a = 11.790(4) Å，b = 13.696(5) Å，c = 23.232(6) Å，β = 92.26(3)°，V = 3748(2) Å3，Z = 8，R = 0.0563，Rw = 0.0512。关于Ge的立体环境为四面体，但硫代碳酸酯基团的取向显示出有趣的特征。关键词：结构，锗，苯基，甲基，硫代碳酸酯。

  DOI：

  10.1139/v98-026
• 作为产物：
  描述：

  potassium n-propyltrithiocarbonate 、 二氯二甲基锗 以 二硫化碳 为溶剂， 以85%的产率得到[Dimethyl(propylsulfanylcarbothioylsulfanyl)germyl]sulfanyl-propylsulfanylmethanethione
  参考文献：
  名称：

  Synthesis, spectroscopic characterization, and structural studies of organogermanium tri- and monothiocarbonates. Crystal structures of Me₂Ge[S₂CSEt]₂, Ph₃Ge[SCO₂Me], Ph₃Ge[SCO₂(i-Pr)], and Ph₂Ge[SCO₂Me]₂

  摘要：

  两系列S-烷基三硫代碳酸酯衍生物，Me2Ge[S2CSR]2和卤代二苯基锗，Ph2GeX[S2CSR]，其中R = Me，i-Pr，n-Pr，n-Bu，X = Cl，Br，以及三系列O-烷基单硫代碳酸酯衍生物，Ph3Ge[SCO2R]，Ph2Ge[SCO2R]和Me3Ge[SCO2R]，其中R = Me，i-Pr和n-Pr，通过将适当的三硫代碳酸或单硫代碳酸的钾盐或钠盐与二氯二甲基锗、氯三苯基锗、二氯二苯基锗和氯三甲基锗反应，以73-92%的产率制备。这些化合物主要通过红外、拉曼和1H和13C核磁共振光谱学进行表征，包括一些可变温度研究，以及质谱学。Me2Ge[S2CSEt]2，1：P21/m（编号11），晶胞参数a = 6.647(4) Å，b = 7.423(2) Å，c = 16.290(4) Å，β = 91.07(3)°，V = 803.6(4) Å3，Z = 2，R = 0.0484，Rw = 0.0485。Ph3Ge[SCO2Me]，13：P1bar（编号2），晶胞参数a = 9.970(4) Å，b = 10.660(3) Å，c = 9.853(2) Å，α = 101.78(2)°，β = 109.98(2)°，γ = 89.76(3)°，V = 961.0(5) Å3，Z = 2，R = 0.0534，Rw = 0.0451。Ph3Ge[SCO2(i-Pr)]，14：P 1bar（编号2），晶胞参数a = 14.386(7) Å，b = 18.598(6) Å，c = 9.223(3) Å，α = 102.85(3)°，β = 94.58(3)°，γ = 108.13(3)°，V = 2256(1) Å3，Z = 2，R = 0.0545，Rw = 0.0552。Ph2Ge[SCO2Me]2，16：Cc，（编号9），晶胞参数a = 11.790(4) Å，b = 13.696(5) Å，c = 23.232(6) Å，β = 92.26(3)°，V = 3748(2) Å3，Z = 8，R = 0.0563，Rw = 0.0512。关于Ge的立体环境为四面体，但硫代碳酸酯基团的取向显示出有趣的特征。关键词：结构，锗，苯基，甲基，硫代碳酸酯。

  DOI：

  10.1139/v98-026

文献信息

• Synthesis, spectroscopic characterization, and structural studies of organogermanium tri- and monothiocarbonates. Crystal structures of Me₂Ge[S₂CSEt]₂, Ph₃Ge[SCO₂Me], Ph₃Ge[SCO₂(<i>i-</i>Pr)], and Ph₂Ge[SCO₂Me]₂
  作者：John E Drake、Jincai Yang

  DOI：10.1139/v98-026

  日期：1998.3.1

  Two series of S-alkyl trithiocarbonate derivatives of imethylgermane, Me₂Ge[S₂CSR]₂, and halodiphenylgermane, Ph₂GeX[S₂CSR], where R = Me, i-Pr, n-Pr, n-Bu and X = Cl, Br, and three series of O-alkyl monothiocarbonate derivatives of triphenylgermane, Ph₃Ge[SCO₂R], diphenylgermane, Ph₂Ge[SCO₂R], and trimethylgermane, me₃Ge[SCO₂R], where R = Me, i-Pr, and n-Pr, have been prepared in 73-92% yields by the reaction of the potassium or sodium salt of the appropriate tri- or monothiocarbonic acid with dichlorodimethyl-, chlorotriphenyl-, dichlorodiphenyl-, and chlorotrimethylgermane. The compounds were principally characterized by infrared, Raman, and ¹H and ¹³C NMR spectroscopy, including some variable temperature studies, as well as by mass spectrometry. Me₂Ge[S₂CSEt]₂, 1: P2₁/m (No. 11) with cell parameters a = 6.647(4) Å, b = 7.423(2) Å, c = 16.290(4) Å, β = 91.07(3)°, V = 803.6(4) ų, Z = 2, R = 0.0484,R_w = 0.0485. Ph₃Ge[SCO₂Me],13: P1bar (No. 2) with cell parameters a = 9.970(4) Å, b = 10.660(3) Å, c = 9.853(2) Å, α = 101.78(2)°, β = 109.98(2)°, γ = 89.76(3)°, V = 961.0(5) ų, Z = 2, R = 0.0534, R_w = 0.0451. Ph₃Ge[SCO₂(i-Pr)], 14: P 1bar (No. 2) with cell parameters a = 14.386(7) Å, b = 18.598(6) Å, c = 9.223(3) Å, α = 102.85(3)°, β = 94.58(3)°, γ = 108.13(3)°, V = 2256(1) ų, Z = 2, R = 0.0545, R_w = 0.0552. Ph₂Ge[SCO₂Me]₂, 16: Cc, (No. 9) with cell parameters a = 11.790(4) Å, b = 13.696(5) Å, c = 23.232(6) Å, β = 92.26(3)°, V = 3748(2) ų, Z = 8, R = 0.0563, R_w = 0.0512. The immediate environment about Ge is that of tetrahedral but the orientations of the thiocarbonate groups display interesting features.Key words: structure, germanium, phenyl, methyl, thiocarbonates.

  两系列S-烷基三硫代碳酸酯衍生物，Me2Ge[S2CSR]2和卤代二苯基锗，Ph2GeX[S2CSR]，其中R = Me，i-Pr，n-Pr，n-Bu，X = Cl，Br，以及三系列O-烷基单硫代碳酸酯衍生物，Ph3Ge[SCO2R]，Ph2Ge[SCO2R]和Me3Ge[SCO2R]，其中R = Me，i-Pr和n-Pr，通过将适当的三硫代碳酸或单硫代碳酸的钾盐或钠盐与二氯二甲基锗、氯三苯基锗、二氯二苯基锗和氯三甲基锗反应，以73-92%的产率制备。这些化合物主要通过红外、拉曼和1H和13C核磁共振光谱学进行表征，包括一些可变温度研究，以及质谱学。Me2Ge[S2CSEt]2，1：P21/m（编号11），晶胞参数a = 6.647(4) Å，b = 7.423(2) Å，c = 16.290(4) Å，β = 91.07(3)°，V = 803.6(4) Å3，Z = 2，R = 0.0484，Rw = 0.0485。Ph3Ge[SCO2Me]，13：P1bar（编号2），晶胞参数a = 9.970(4) Å，b = 10.660(3) Å，c = 9.853(2) Å，α = 101.78(2)°，β = 109.98(2)°，γ = 89.76(3)°，V = 961.0(5) Å3，Z = 2，R = 0.0534，Rw = 0.0451。Ph3Ge[SCO2(i-Pr)]，14：P 1bar（编号2），晶胞参数a = 14.386(7) Å，b = 18.598(6) Å，c = 9.223(3) Å，α = 102.85(3)°，β = 94.58(3)°，γ = 108.13(3)°，V = 2256(1) Å3，Z = 2，R = 0.0545，Rw = 0.0552。Ph2Ge[SCO2Me]2，16：Cc，（编号9），晶胞参数a = 11.790(4) Å，b = 13.696(5) Å，c = 23.232(6) Å，β = 92.26(3)°，V = 3748(2) Å3，Z = 8，R = 0.0563，Rw = 0.0512。关于Ge的立体环境为四面体，但硫代碳酸酯基团的取向显示出有趣的特征。关键词：结构，锗，苯基，甲基，硫代碳酸酯。