phenothiazine, 7,7,8,8-tetracyanoquinodimethane, complex | 33924-70-8

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: phenothiazine, 7,7,8,8-tetracyanoquinodimethane, complex
• 英文别名: 10H-phenothiazine; compound with cyclohexa-2,5-diene-1,4-diylidene-bis-malononitrile (1:1)；Phenothiazin, TCNQ-Komplex；2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile;10H-phenothiazine
• CAS: 33924-70-8
• 化学式: C₁₂H₄N₄*C₁₂H₉NS
• 分子量: 403.467
• InChiKey: FHDOXKWKBATZBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.98
• 重原子数：
  30.0
• 可旋转键数：
  0.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  107.19
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  吩噻嗪 、 7,7,8,8-四氰基对苯二醌二甲烷 生成 phenothiazine, 7,7,8,8-tetracyanoquinodimethane, complex
  参考文献：
  名称：

  Non-Sinusoidal Structure of the 1:1 Complex of Phenothiazine and 7,7,8,8-Tetracyanoquinodimethane

  摘要：

  The title compound, C12H9NS.C12H4N4, has a different space group to that reported by Kobayashi [Acta Cryst. (1974), B30, 1010-1017] and does not present any disorder or sinusoidal modulation, in contrast to the first study of this compound. In particular, no N...N distance of about 3.3 angstrom was observed.

  DOI：

  10.1107/s0108270194008061

文献信息

• Rainville, David P.; Zingaro, Ralph A.; Ferraris, John P., Canadian Journal of Chemistry, 1980, vol. 58, p. 1133 - 1137
  作者：Rainville, David P.、Zingaro, Ralph A.、Ferraris, John P.

  DOI：——

  日期：——
• Bhat, S N; Shedbalkar, V P; Kuroda, Haruo, Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 1982, vol. 21, # 11, p. 1015 - 1017
  作者：Bhat, S N、Shedbalkar, V P、Kuroda, Haruo

  DOI：——

  日期：——
• TURCHANINOV, V. K.;GORSHKOV, A. G.;PETRUSHENKO, K. B.;VOKIN, A. I.;SKVORT+, ZH. ORGAN. XIMII, 1984, 20, N 5, 1084-1089
  作者：TURCHANINOV, V. K.、GORSHKOV, A. G.、PETRUSHENKO, K. B.、VOKIN, A. I.、SKVORT+

  DOI：——

  日期：——