3-formylpyridine-S-methylthiosemicarbazone hydroiodide | 409088-64-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-formylpyridine-S-methylthiosemicarbazone hydroiodide
• CAS: 409088-64-8
• 化学式: C₈H₁₀N₄S*HI
• 分子量: 322.173
• InChiKey: NYAKBBDEFWYMPJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.71
• 重原子数：
  14.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  63.63
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  3-formylpyridine-S-methylthiosemicarbazone hydroiodide 、 zinc(II) chloride 在 碳酸氢钠 作用下， 以 乙醇 、 水 为溶剂， 以60%的产率得到dichloro(3-formylpyridine-S-methylthiosemicarbazide)zinc(II)
  参考文献：
  名称：

  Zn(II) and Pd(II) Complexes of Thiosemicarbazone‐S‐alkyl Esters Derived from 2/3‐Formylpyridine

  摘要：

  Representative S-methyl/ethyl-4-H/phenylthiosemicarbazones and their Zn(II) and Pd(II) complexes were synthesized. Characterization of the 1:1 complexes, [Zn(L)Cl-2], [Pd(L)Cl-2], and [Pd(L)Cl]Cl, was accomplished by means of elemental analyses, IR and H-1 NMR spectra. The multidentate S-alkyl thiosemicarbazones coordinate as mono-, bi-, or tridentate ligands depending on the types of the alkyl moiety and metal ion.

  DOI：

  10.1081/sim-120035948
• 作为产物：
  描述：

  3-吡啶甲醛 、 S-甲基异硫氨基脲盐酸盐 以 乙醇 为溶剂， 反应 0.5h， 以72%的产率得到3-formylpyridine-S-methylthiosemicarbazone hydroiodide
  参考文献：
  名称：

  Synthesis and antimycobacterial activity of new S-alkylisothiosemicarbazone derivatives

  摘要：

  A new series of S-alkylisothiosemicarbazones of 3- and 4-pyridincarboxaldehyde and 4-fluoro- and 4-trifluoromethylbenzaldehyde was synthesized and evaluated for biological activity against various Mycobacterium strains. Inhibitory activity against Mycobacterium tuberculosis H37Rv ATCC 27294 and INH-R ATCC 35822 was compared with activity against clinical isolated Mycobacteria as well as against MOTT. Some of newly prepared compounds showed best inhibitory values against clinical isolated Mycobacteria, besides to low citotoxicity values. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(01)00310-8