salicylaldehyde S-allylisothiosemicarbazone | 106834-72-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: salicylaldehyde S-allylisothiosemicarbazone
• 英文别名: prop-2-enyl N'-[(2-hydroxyphenyl)methylideneamino]carbamimidothioate
• CAS: 106834-72-4；116525-19-0
• 化学式: C₁₁H₁₃N₃OS
• 分子量: 235.31
• InChiKey: FIUFPWSAHVJMGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  96.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  salicylaldehyde S-allylisothiosemicarbazone 、 nickel(II) acetylacetonate dihydrate 以 乙酰丙酮 为溶剂， 生成
  参考文献：
  名称：

  Gerbeleu, N. V.; Simonov, Yu. A.; Revenko, M. D., Koordinatsionnaya Khimiya, 1988, vol. 14, p. 456 - 462

  摘要：

  DOI：
• 作为产物：
  描述：

  3-溴丙烯 、 水杨醛 、 氨基硫脲 以 乙醇 为溶剂， 反应 3.0h， 以83%的产率得到salicylaldehyde S-allylisothiosemicarbazone
  参考文献：
  名称：

  Dianion N1,N4-bis(salicylidene)-S-allyl-thiosemicarbazide complexes: Synthesis, structure, spectroscopy and thermal behavior

  摘要：

  The products with the general formulas VO(Salits) 1, Mn(Salits)Br 2, Fe(Salits)Cl 3 and UO2(Salits)(MeOH)4 (Salits = N-1,N-4-bis(salicylidene)-S-allyl-thiosemicarbazide) are prepared by the reaction of salicylaldehyde-S-allyl-thiosemicarbazone (H2L) and salicylaldehyde with VOSO4 center dot 3H(2)O, Mn(CH3COO)(2)center dot 4H(2)O, FeCl3 center dot 6H(2)O and UO2(CH3COO)(2)center dot 2H(2)O, respectively. Complexes 1-4 were characterized by elemental analysis, spectroscopic (FT-IR and UV-Vis) and TGA techniques. Crystal and molecular structures of the complexes were determined by single crystal X-ray diffraction. The results revealed that the complexes 1,2 and 3 contain a dideprotonated tetradentate form of Salits coordinated via N2O2 donors along with oxido, bromido or chlorido ligands, respectively, and they have distorted square pyramidal geometries. However, the complex 4 adopts a severely distorted pentagonal bipyramidal geometry consisting of N2O2 coordination of Salits, a methanol ligand and two oxygens of the uranyl moiety. TG analysis showed that complex 3 is more stable than the others. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.05.004

文献信息

• Yampol'skaya, M. A.; Bouroshch, P. N.; Simonov, Yu. A., Russian Journal of Inorganic Chemistry, 1987, vol. 32, p. 984 - 987
  作者：Yampol'skaya, M. A.、Bouroshch, P. N.、Simonov, Yu. A.、Gerbeleu, N. V.

  DOI：——

  日期：——
• Bourosh, P. N.; Simonov, Yu. A.; Arion, V. B., Kristallografiya, <hi>1989</hi>, vol. 34, p. 380 - 383
  作者：Bourosh, P. N.、Simonov, Yu. A.、Arion, V. B.、Sobolev, A. N.、Gerbeleu, N. V.、Pakhopol, V. S.

  DOI：——

  日期：——