1-methyl-5,6-diphenylpyrazine-2(1H)-thione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 1-methyl-5,6-diphenylpyrazine-2(1H)-thione
• 英文别名: 1-methyl-5,6-diphenyl-2(1H)-pyrazinethione；1-Methyl-5,6-diphenylpyrazine-2-thione
• 化学式: C₁₇H₁₄N₂S
• 分子量: 278.378
• InChiKey: MALZBHYVGZKZFF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  47.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-甲基-5,6-二苯基吡嗪-2-酮 在 劳森试剂 作用下， 以 甲苯 为溶剂， 反应 4.0h， 以57%的产率得到1-methyl-5,6-diphenylpyrazine-2(1H)-thione
  参考文献：
  名称：

  1-Methyl-5,6-diphenylpyrazine-2(1H)-thione

  摘要：

  The title compound, C17H14N2S, crystallizes in a triclinic unit cell, with two crystallographically independent molecules in the asymmetric unit. The two independent molecules pack in the same sense and form segregated layers along the c axis. The crystal is light-stable and no dimers are formed under irradiation. The intermolecular distances between the potential reactive centers (the C-3 and C-5 ring positions) are 4.093 (4) and 5.643 (4) Angstrom for molecule A, and 4.081 (4) and 5.614 (4) Angstrom for molecule B.

  DOI：

  10.1107/s0108270102001105

文献信息

• Katoh, Akira; Kashima, Choji; Omote, Yoshimori, Heterocycles, 1982, vol. 19, # 12, p. 2283 - 2286
  作者：Katoh, Akira、Kashima, Choji、Omote, Yoshimori

  DOI：——

  日期：——
• KATOH, AKIRA;KASHIMA, CHOJI;OMOTE, YOSHIMORI, HETEROCYCLES, 1982, 19, N 12, 2283-2286
  作者：KATOH, AKIRA、KASHIMA, CHOJI、OMOTE, YOSHIMORI

  DOI：——

  日期：——
• 1-Methyl-5,6-diphenylpyrazine-2(1<i>H</i>)-thione
  作者：Alexander B. Zolotoy、Mark Botoshansky、Menahem Kaftory、John R. Scheffer、Jie Yang

  DOI：10.1107/s0108270102001105

  日期：2002.4.15

  The title compound, C17H14N2S, crystallizes in a triclinic unit cell, with two crystallographically independent molecules in the asymmetric unit. The two independent molecules pack in the same sense and form segregated layers along the c axis. The crystal is light-stable and no dimers are formed under irradiation. The intermolecular distances between the potential reactive centers (the C-3 and C-5 ring positions) are 4.093 (4) and 5.643 (4) Angstrom for molecule A, and 4.081 (4) and 5.614 (4) Angstrom for molecule B.