tetrakis[μ3-ethoxy(N-methylimino)methanethiolato]-1κ-N,2:4κ2-S;2κ-N,1:3κ2-S;3κ-N,1:4κ2-S;4κ-N,2:3κ2-S-tetracopper(I) | 157473-43-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: tetrakis[μ3-ethoxy(N-methylimino)methanethiolato]-1κ-N,2:4κ2-S;2κ-N,1:3κ2-S;3κ-N,1:4κ2-S;4κ-N,2:3κ2-S-tetracopper(I)
• 英文别名: copper(1+);1-ethoxy-N-methylmethanimidothioate
• CAS: 157473-43-3
• 化学式: C₁₆H₃₂Cu₄N₄O₄S₄
• 分子量: 726.902
• InChiKey: PGZBKICOKHWVFI-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  2.21
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  90.4
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  tetrakis(acetonitrile)copper(I) perchlorate 、 异硫氰酸甲酯 在 ethanol 作用下， 以 乙醇 为溶剂， 生成 tetrakis[μ3-ethoxy(N-methylimino)methanethiolato]-1κ-N,2:4κ2-S;2κ-N,1:3κ2-S;3κ-N,1:4κ2-S;4κ-N,2:3κ2-S-tetracopper(I)
  参考文献：
  名称：

  Tetrakis[{μ3-ethoxy(N-methylimino)methanethiolato}copper(I)]

  摘要：

  Tetrakis[mu3-ethoxy(N-methylimino)methane-thiolato]-1kappaN,2:4kappa2S,2kappaN, 1:3kappa2S;3kappaN, 1:4kappa2S;4kappaN,-2:3kappa2S-tetracopper, [Cu2(C4H8NOS)2]2, contains a tetrahedral Cu, core surrounded by four effectively tridentate ethoxy(N-methylimino)methanethiolato (or O-ethyl N-methylcarbonimidothioato) ligands, CH3N=C(OC2H5)S-. Each Cu atom is coordinated by an N atom and two S atoms in a trigonal planar environment. There are two kinds of Cu(I)-Cu(I) distances (average 2.616 and 2.845 angstrom), resulting in a butterfly structure for the Cu4 core.

  DOI：

  10.1107/s0108270193013083

文献信息

• Syntheses and structures of tetranuclear and hexanuclear copper(I) complexes with iminomethanethiolato bridges derived from isothiocyanate
  作者：Takayoshi Kuroda-Sowa、Megumu Munakata、Makoto Miyazaki、Masahiko Maekawa

  DOI：10.1016/0277-5387(95)90868-h

  日期：1995.4

  Methylisothiocyanate, MeN=C=S, in ethanol reacted with copper(I) giving a tetranuclear complex [Cumu(3)-SC(=NMe)(OEt)}](4) (1). Similar reaction of allylisothiocyanate, CH2=CHCH2N=C=S, and copper(I) in methanol gave a hexanuclear complex, [Cumu(3)-SC(=NC3H5)(OMe)}](6) (2). They show tetrahedral Cu-4 and octahedral Cu-6 cores, respectively. There are two structural similarities in both complexes : (i) a thiolato moiety [-N=C(S-)-] which bridges three copper atoms with a monodentate nitrogen atom and a bridging sulphur atom and (ii) a trigonal planar geometry for copper(I) coordinated by one nitrogen atom and two sulphur atoms. Each iminomethanethiolato ligand is formed in situ in solvent. H-1 NMR shows the reaction is initiated by a coordination of an isothiocyanate to copper(I).