potassium 4-thioxo-3-thia-1,4a,9-triaza-fluorene-2-thiolate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: potassium 4-thioxo-3-thia-1,4a,9-triaza-fluorene-2-thiolate
• 英文别名: Potassium;4-sulfanylidene-[1,3,5]thiadiazino[3,4-a]benzimidazole-2-thiolate；potassium;4-sulfanylidene-[1,3,5]thiadiazino[3,4-a]benzimidazole-2-thiolate
• 化学式: C₉H₄N₃S₃*K
• 分子量: 289.447
• InChiKey: KCESDTSBSLGODQ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.42
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  88.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  potassium 4-thioxo-3-thia-1,4a,9-triaza-fluorene-2-thiolate 在 盐酸 作用下， 以 四氢呋喃 为溶剂， 以95%的产率得到9H-3-thia-1,4a,9-triaza-fluorene-2,4-dithione
  参考文献：
  名称：

  Triphenyl lead, tin and germanium coordination compounds derived from 9H-3-thia-1,4a,9-triaza-fluorene-2,4-dithione

  摘要：

  Reactions of potassium 4-thioxo-3-tliia-1,4a,9-triaza-fluoretie-2-thiolate with Ph3PbCl, Ph3SnCl and Ph3GeCl provided the corresponding metal pentacoordinated compounds 2-4. Addition of THF afforded their hexacoordinated derivatives (5-7). Adducts of 2 and 3 with DMSO (8, 10), pyridine (9, 11), Ph3PO (12, 14) CH3OH (13, 15), respectively were synthesized. Compound 2 afforded the H2O adduct (16). In all cases the metal atom is chelated by the ligand through a covalent bond with S2 and a coordination bond with N1 forming four membered rings. Compounds were identified by H-1, C-13, N-15, Sn-119 and Pb-207. X-ray diffraction structures of 2, 3, 8, 9, 11, 14 and 16 were obtained. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2007.11.040
• 作为产物：
  描述：

  二硫化碳 、 2-氨基苯并咪唑 在 氢氧化钾 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以35%的产率得到potassium 4-thioxo-3-thia-1,4a,9-triaza-fluorene-2-thiolate
  参考文献：
  名称：

  Triphenyl lead, tin and germanium coordination compounds derived from 9H-3-thia-1,4a,9-triaza-fluorene-2,4-dithione

  摘要：

  Reactions of potassium 4-thioxo-3-tliia-1,4a,9-triaza-fluoretie-2-thiolate with Ph3PbCl, Ph3SnCl and Ph3GeCl provided the corresponding metal pentacoordinated compounds 2-4. Addition of THF afforded their hexacoordinated derivatives (5-7). Adducts of 2 and 3 with DMSO (8, 10), pyridine (9, 11), Ph3PO (12, 14) CH3OH (13, 15), respectively were synthesized. Compound 2 afforded the H2O adduct (16). In all cases the metal atom is chelated by the ligand through a covalent bond with S2 and a coordination bond with N1 forming four membered rings. Compounds were identified by H-1, C-13, N-15, Sn-119 and Pb-207. X-ray diffraction structures of 2, 3, 8, 9, 11, 14 and 16 were obtained. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2007.11.040