4-formylpyridine N(4)-ethylthiosemicarbazone | 98954-06-4

• 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: 4-formylpyridine N(4)-ethylthiosemicarbazone
• 英文别名: pyridine-4-carbaldehyd-(4-ethyl thiosemicarbazone)；Pyridin-4-carbaldehyd-(4-aethyl-thiosemicarbazon)；Isonicotinaldehyde N-ethylthiosemicarbazone；1-ethyl-3-[(E)-pyridin-4-ylmethylideneamino]thiourea
• CAS: 98954-06-4
• 化学式: C₉H₁₂N₄S
• 分子量: 208.287
• InChiKey: FMSGSVTWRWEGCO-KPKJPENVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  81.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-乙基-3-硫代氨基脲 、 N'-isonicotinoylbenzenesulfonohydrazide 在 sodium carbonate 、 甘油 作用下， 生成 4-formylpyridine N(4)-ethylthiosemicarbazone
  参考文献：
  名称：

  Fujikawa et al., Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1959, vol. 79, p. 1231,1233

  摘要：

  DOI：

文献信息

• Crystal structures and IR, NMR and UV spectra of 4-formyl- and 4-acetylpyridine N (4)-methyl- and N (4)-ethylthiosemicarbazones
  作者：H. Beraldo、R. Lima、L.R. Teixeira、A.A. Moura、D.X. West

  DOI：10.1016/s0022-2860(00)00690-6

  日期：2001.1

  4-Formyl- and I-acetylpyridine N(4)-methyl- and N(4)-ethylthiosemicarbazone have been prepared, their structures solved and IR, NMR and UV spectra recorded. Intramolecular and intermolecular hydrogen bonding are both present, but the mode of the intermolecular interaction differs in the four compounds. Further, there is a significant difference in their angles between the mean planes of the pyridine ring and thiosemicarbazone moiety. The H-1 NMR spectral studies show significant differences between the compounds as do UV and IR spectra. (C) 2001 Elsevier Science B.V. All rights reserved.
• Fujikawa et al., Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1959, vol. 79, p. 1231,1233
  作者：Fujikawa et al.

  DOI：——

  日期：——

表征谱图