6-thiophen-2-ylmethyleneamino-3H-benzothiazole-2-thione | 99971-11-6

• 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: 6-thiophen-2-ylmethyleneamino-3H-benzothiazole-2-thione
• 英文别名: 6--2-mercapto-benzthiazol；6-(thiophen-2-ylmethylideneamino)-3H-1,3-benzothiazole-2-thione
• CAS: 99971-11-6
• 化学式: C₁₂H₈N₂S₃
• 分子量: 276.407
• InChiKey: HRMFNQHQRUQJDO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  110
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  三苄基氯化锡 、 6-thiophen-2-ylmethyleneamino-3H-benzothiazole-2-thione 在 sodium ethoxide 作用下， 以 苯 为溶剂， 生成 (E)-1-(thiophen-2-yl)-N-(2-((tribenzylstannyl)thio)benzo[d]thiazol-6-yl)methanimine
  参考文献：
  名称：

  Triorganotin(IV) complexes of Schiff base derived from 6-amino-2-mercaptobenzothiazole: Synthesis, characterization and X-ray crystal structures

  摘要：

  Nine triorganotin(IV) complexes of the type R3SnL (L = L1 R = Me 1, Ph 2, PhCH2 3; L = L2 R = Me 4, Ph 5, PhCH2 6; L = L2 R = Me 7, Ph 8, PhCH2 9) have been obtained by reaction of new Schiff base HL1, HL2 or HL3 with triorganotin(IV) chloride in the presence of sodium ethoxide. All the complexes 1-9 were characterized by elemental, IR and NMR spectra analyses. Except for complexes 3, 4, 6, 9, the others were also characterized by X-ray crystallography diffraction analyses, which revealed that complexes 1, 2, 5, 7, 8 were four coordinated and displayed a capped tetrahedron. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2006.12.017
• 作为产物：
  描述：

  2-噻吩甲醛 、 6-氨基-2-巯基苯并噻唑 以 乙醇 为溶剂， 生成 6-thiophen-2-ylmethyleneamino-3H-benzothiazole-2-thione
  参考文献：
  名称：

  Kuz'minskii,A.S. et al., Journal of applied chemistry of the USSR, 1960, vol. 33, p. 1172 - 1176

  摘要：

  DOI：

文献信息

• Kuz'minskii,A.S. et al., Journal of applied chemistry of the USSR, 1960, vol. 33, p. 1172 - 1176
  作者：Kuz'minskii,A.S. et al.

  DOI：——

  日期：——
• Triorganotin(IV) complexes of Schiff base derived from 6-amino-2-mercaptobenzothiazole: Synthesis, characterization and X-ray crystal structures
  作者：Chunlin Ma、Yawen Han、Rufen Zhang

  DOI：10.1016/j.ica.2006.12.017

  日期：2007.5

  Nine triorganotin(IV) complexes of the type R3SnL (L = L1 R = Me 1, Ph 2, PhCH2 3; L = L2 R = Me 4, Ph 5, PhCH2 6; L = L2 R = Me 7, Ph 8, PhCH2 9) have been obtained by reaction of new Schiff base HL1, HL2 or HL3 with triorganotin(IV) chloride in the presence of sodium ethoxide. All the complexes 1-9 were characterized by elemental, IR and NMR spectra analyses. Except for complexes 3, 4, 6, 9, the others were also characterized by X-ray crystallography diffraction analyses, which revealed that complexes 1, 2, 5, 7, 8 were four coordinated and displayed a capped tetrahedron. (c) 2006 Elsevier B.V. All rights reserved.