5-phenyl-1,2,3,4-tetrathiacyclohexane | 135309-19-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四硫烷
• 英文名称: 5-phenyl-1,2,3,4-tetrathiacyclohexane
• 英文别名: 1-Phenyl-2,3,4,5-Tetrathiacyclohexane；5-phenyltetrathiane
• CAS: 135309-19-2
• 化学式: C₈H₈S₄
• 分子量: 232.416
• InChiKey: BFBJTZHSXHPEOQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  十二羰基三铁 、 5-phenyl-1,2,3,4-tetrathiacyclohexane 以 苯 为溶剂， 生成 Fe2(μ-S)2(CO)6 、 、
  参考文献：
  名称：

  Reaction of styrene with sulfur and triiron dodecacarbonyl and the molecular structure of the complex Fe2(CO)6(SCH2S)

  摘要：

  Reaction of excess styrene with Fe3(CO)12 and sulfur (60-degrees-C, 15 h, Ar, S/Fe3(CO)12 0.6 g-atom/mole) gave Fe2(CO)6S2, Fe3(CO)9S2, Fe2(CO)6(S2CO), Fe2(CO)6S2(PhCHCH2), PhCHCH2S4, and a novel binuclear complex Fe2(CO)6(S2CH2S), whose structure was analyzed by x-ray crystallography. The crystals are monoclinic, a = 7.764(3), b = 13.205(4), c = 6.628(6) angstrom, beta = 98.97(3)-degrees. V = 671.2(7) angstrom 3, Z = 2, space group P2(1)/m. The bond lengths are Fe-Fe 2.520(2), Fe-S 2.236(2), S-S 2.078(4), C-S 1.825(12), Fe-CO 1.784(8), and C = O 1.148(9) angstrom.

  DOI：

  10.1007/bf00958582
• 作为产物：
  描述：

  苯乙烯 、 1,2,3,4,5,6,7,8-八硫杂环辛烷 、 十二羰基三铁 以 further solvent(s) 为溶剂， 以0.5%的产率得到
  参考文献：
  名称：

  Reaction of styrene with sulfur and triiron dodecacarbonyl and the molecular structure of the complex Fe2(CO)6(SCH2S)

  摘要：

  Reaction of excess styrene with Fe3(CO)12 and sulfur (60-degrees-C, 15 h, Ar, S/Fe3(CO)12 0.6 g-atom/mole) gave Fe2(CO)6S2, Fe3(CO)9S2, Fe2(CO)6(S2CO), Fe2(CO)6S2(PhCHCH2), PhCHCH2S4, and a novel binuclear complex Fe2(CO)6(S2CH2S), whose structure was analyzed by x-ray crystallography. The crystals are monoclinic, a = 7.764(3), b = 13.205(4), c = 6.628(6) angstrom, beta = 98.97(3)-degrees. V = 671.2(7) angstrom 3, Z = 2, space group P2(1)/m. The bond lengths are Fe-Fe 2.520(2), Fe-S 2.236(2), S-S 2.078(4), C-S 1.825(12), Fe-CO 1.784(8), and C = O 1.148(9) angstrom.

  DOI：

  10.1007/bf00958582

文献信息

• Reaction of styrene with sulfur and triiron dodecacarbonyl and the molecular structure of the complex Fe2(CO)6(SCH2S)
  作者：A. I. Nekhaev、B. I. Kolobkov、M. T. Toshev、Kh. B. Dustov、G. G. Aleksandrov

  DOI：10.1007/bf00958582

  日期：1991.4

  Reaction of excess styrene with Fe3(CO)12 and sulfur (60-degrees-C, 15 h, Ar, S/Fe3(CO)12 0.6 g-atom/mole) gave Fe2(CO)6S2, Fe3(CO)9S2, Fe2(CO)6(S2CO), Fe2(CO)6S2(PhCHCH2), PhCHCH2S4, and a novel binuclear complex Fe2(CO)6(S2CH2S), whose structure was analyzed by x-ray crystallography. The crystals are monoclinic, a = 7.764(3), b = 13.205(4), c = 6.628(6) angstrom, beta = 98.97(3)-degrees. V = 671.2(7) angstrom 3, Z = 2, space group P2(1)/m. The bond lengths are Fe-Fe 2.520(2), Fe-S 2.236(2), S-S 2.078(4), C-S 1.825(12), Fe-CO 1.784(8), and C = O 1.148(9) angstrom.