5,5'-(ethane-1,2-diyl)bis(1,3,5-triazinane-2-thione) | 6601-52-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪烷类
• 英文名称: 5,5'-(ethane-1,2-diyl)bis(1,3,5-triazinane-2-thione)
• 英文别名: 1,2-bis-(4-thio-1,3,5-hexahydro-1-triazinyl)ethane；octahydro-5,5'-ethanediyl-bis-[1,3,5]triazine-2-thione；Octahydro-5,5'-aethandiyl-bis-[1,3,5]triazin-2-thion；5-[2-(4-sulfanylidene-1,3,5-triazinan-1-yl)ethyl]-1,3,5-triazinane-2-thione
• CAS: 6601-52-1
• 化学式: C₈H₁₆N₆S₂
• 分子量: 260.387
• InChiKey: NVCVVLRBGPQFSO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  119
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5,5'-(ethane-1,2-diyl)bis(1,3,5-triazinane-2-thione) 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and Characterization of Coordination Polymers of 1,2‐bis‐(4‐Thio‐1,3,5‐hexahydro‐1‐triazinyl)ethane

  摘要：

  Coordination polymers of Mn(II), Fe(H), Co(II), Ni(II), Cu(II) and Zn(II) with the 1,2-bis-(4-thio-1,3,5-hexahydro-1-triazinyl)ethane (H2BTHTE) ligand have been prepared in DMF solution. The coordination polymers have been characterized by their elemental analyses, magnetic susceptibility and by electronic and infrared spectral measurements. The thermal stability of each polymer was determined by thermogravimetric analysis. The thermal stability of the coordination polymers obtained from the thermograms is in the following order: Fe>Zn>Mn = Co>Ni>Cu. The Cu(II), Co(II), Ni(II) and Fe(II) coordination polymers are of six-coordinated octahedral geometry while the Mn(II) and Zn(II) coordination polymers are of four-coordinated tetrahedral structure. The ligand field and nephelauxetic parameters have been determined from the spectra using the ligand field theory of spin-allowed transitions and which were found to be consistent with six-coordinated structures for the Cu(II), Co(II), Ni(II) and Fe(II) coordination polymers. Elemental analyses indicate a ligand metal ratio of 1: 1 in all of the coordination polymers and the coordination of water molecules with the central metal atom in the case of the Cu(II), Fe(II), Co(II) and Ni(II) coordination polymers.

  DOI：

  10.1081/sim-120021646
• 作为产物：
  描述：

  硫脲 、 1,3,5,7-四氮杂三环[3.3.2.2(3,7)]十二烷 以 水 为溶剂， 反应 2.0h， 以40%的产率得到5,5'-(ethane-1,2-diyl)bis(1,3,5-triazinane-2-thione)
  参考文献：
  名称：

  硫脲与甲醛和最简单的脂肪族二胺的反应

  摘要：

  N，N′-双（羟甲基）硫脲与丙烷-1,3-二胺以2：1的摩尔比反应，得到5,5'-丙烷-1,3-二基双（1,3,5-三嗪烷- （2-硫酮），而在反应中以等摩尔量的反应物获得了1,3,5,7,11,13,15,17-八氮杂三环[15.3.1.1 7,11 ] -二十二烷-4,14-二硫酮。在硫脲与甲醛和1,3-二胺丙烷的三组分缩合反应中，也形成了三环产物，N，N的反应''-双（羟甲基）硫脲与乙烷-1,2-二胺（2：1）和硫脲与甲醛和丁烷-1,4-二胺（1：1：2）得到5,5'-（乙烷-1） ，2-二基）双（1,3,5-三嗪烷-2-硫酮）和5,5'-（丁烷-1,4-二基）双（1,3,5-三嗪烷-2-硫酮） 。

  DOI：

  10.1134/s1070428016010231

文献信息

• Reaction of thiourea with formaldehyde and simplest aliphatic diamines
  作者：F. Hamoud、S. M. Ramsh、V. S. Fundamenskii、V. V. Gurzhii、M. A. Brusina、N. G. Arkhipova、P. A. Sedunova、N. L. Medvedskii、E. S. Khrabrova

  DOI：10.1134/s1070428016010231

  日期：2016.1

  11]-docosane-4,14-dithione was obtained in the reaction with equimolar amounts of the reactants. Tricyclic product was also formed in the three-component condensation of thiourea with formaldehyde and propane-1,3-diamine at a ratio of 1 : 3 : 1. The reactions of N,N′-bis(hydroxymethyl)thiourea with ethane-1,2-diamine (2 : 1) and of thiourea with formaldehyde and butane-1,4-diamine (1 : 2 : 1) afforded

  N，N′-双（羟甲基）硫脲与丙烷-1,3-二胺以2：1的摩尔比反应，得到5,5'-丙烷-1,3-二基双（1,3,5-三嗪烷- （2-硫酮），而在反应中以等摩尔量的反应物获得了1,3,5,7,11,13,15,17-八氮杂三环[15.3.1.1 7,11 ] -二十二烷-4,14-二硫酮。在硫脲与甲醛和1,3-二胺丙烷的三组分缩合反应中，也形成了三环产物，N，N的反应''-双（羟甲基）硫脲与乙烷-1,2-二胺（2：1）和硫脲与甲醛和丁烷-1,4-二胺（1：1：2）得到5,5'-（乙烷-1） ，2-二基）双（1,3,5-三嗪烷-2-硫酮）和5,5'-（丁烷-1,4-二基）双（1,3,5-三嗪烷-2-硫酮） 。
• Synthesis and Characterization of Coordination Polymers of 1,2‐<i>bis</i>‐(4‐Thio‐1,3,5‐hexahydro‐1‐triazinyl)ethane
  作者：W. B. Gurnule、L. J. Paliwal、R. B. Kharat

  DOI：10.1081/sim-120021646

  日期：2003.1.6

  Coordination polymers of Mn(II), Fe(H), Co(II), Ni(II), Cu(II) and Zn(II) with the 1,2-bis-(4-thio-1,3,5-hexahydro-1-triazinyl)ethane (H2BTHTE) ligand have been prepared in DMF solution. The coordination polymers have been characterized by their elemental analyses, magnetic susceptibility and by electronic and infrared spectral measurements. The thermal stability of each polymer was determined by thermogravimetric analysis. The thermal stability of the coordination polymers obtained from the thermograms is in the following order: Fe>Zn>Mn = Co>Ni>Cu. The Cu(II), Co(II), Ni(II) and Fe(II) coordination polymers are of six-coordinated octahedral geometry while the Mn(II) and Zn(II) coordination polymers are of four-coordinated tetrahedral structure. The ligand field and nephelauxetic parameters have been determined from the spectra using the ligand field theory of spin-allowed transitions and which were found to be consistent with six-coordinated structures for the Cu(II), Co(II), Ni(II) and Fe(II) coordination polymers. Elemental analyses indicate a ligand metal ratio of 1: 1 in all of the coordination polymers and the coordination of water molecules with the central metal atom in the case of the Cu(II), Fe(II), Co(II) and Ni(II) coordination polymers.