Co(N-benzothiazolyl-N'-methyl thiourea)2 | 84724-34-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: Co(N-benzothiazolyl-N'-methyl thiourea)2
• CAS: 84724-34-5；808112-18-7
• 化学式: C₁₈H₁₆CoN₆S₄
• 分子量: 503.622
• InChiKey: ZVCGZHJHLADFOB-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  4.02
• 重原子数：
  29.0
• 可旋转键数：
  0.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  60.02
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  cobalt(II) acetate 、 1-(1,3-苯并噻唑-2-基)-3-甲基硫脲 以 甲醇 为溶剂， 生成 Co(N-benzothiazolyl-N'-methyl thiourea)2
  参考文献：
  名称：

  Complexes of N-benzothiazolyl-N′-alkyl thioureas

  摘要：

  DOI：

  10.1016/s0277-5387(00)81614-9

文献信息

• Cobalt(II) and zinc(II) compounds with unsaturated ligands derived from 2-aminobenzothiazole
  作者：Fabiola Téllez、Angelina Flores-Parra、Noráh Barba-Behrens、Rosalinda Contreras

  DOI：10.1016/j.poly.2004.08.019

  日期：2004.10

  Four zinc(II) (6, 8, 10 and 12) and four cobalt(II) (5, 7, 9 and 11) compounds derived from N-(benzothiazol-2-yl)-dithiocarbamic methyl ester (1) (5 and 6), 1-benzothiazol-2-ylid-3-methyl-thiourea (2) (7 and 8), 1-benzothiazol-2-yl-2,3-dimethyl-iso thiourea (3) (9 and 10) and N-(benzothiazol-2-yl)-S,S'-dimethyl-dithio-carboimine (4) (11 and 12) are reported. The complexes were characterized in the solid state by UV-Vis-NIR diffuse reflectance, IR, mass spectrometry and compounds 5, 9-12 by X-ray single crystal diffraction analyses. In all cases two ligand molecules are bonded to a tetracoordinated metal atom. In compounds 5-10 the ligand is anionic and bidentate with the metal atom in the center of spirocyclic structures formed by two planar unsaturated six membered rings. In compounds 7-10 the metal atom is linked to four nitrogen atoms and in 5 and 6 to two sulfur and two nitrogen atoms. In compounds 11 and 12 the ligand is neutral and monodentate and the metal ion remains coordinated to the chlorine atoms. (C) 2004 Elsevier Ltd. All rights reserved.