N-(2-pyridyl)-N-2-thiomethoxyphenylthiourea | 492467-33-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(2-pyridyl)-N-2-thiomethoxyphenylthiourea
• 英文别名: Thiourea, N-[2-(methylthio)phenyl]-N'-2-pyridinyl-；1-(2-methylsulfanylphenyl)-3-pyridin-2-ylthiourea
• CAS: 492467-33-1
• 化学式: C₁₃H₁₃N₃S₂
• 分子量: 275.398
• InChiKey: GGTFCZLHOPMTAO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  94.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-氨基吡啶 、 2-(甲基硫代)苯基异硫代氰酸酯 以 乙醇 为溶剂， 反应 1.0h， 生成 N-(2-pyridyl)-N-2-thiomethoxyphenylthiourea
  参考文献：
  名称：

  Structural and spectral studies of N-2-(pyridyl)-, N-2-(3-, 4-, 5-, and 6-picolyl)- and N-2-(4,6-lutidyl)-N′-2-thiomethoxyphenylthioureas

  摘要：

  Structures of the following compounds have been obtained: N-(2-pyridyl)-N-1-2-thiomethoxyphenylthiourea, PyTu2SMe, monoclinic, P2(1)/c(1) a = 11.905(3), b = 4.7660(8), c = 23,532(6) (A) over circle, beta = 95.993(8)degrees, V = 1327.9(5) (A) over circle (3) and Z = 4; N-2-(3-picolyl)-N-1-2-thiomethoxyphenyl-thiourea, 3PicTu2SeMe, monoclinic, C2/c, a = 22.870(5), b = 7.564(l), c = 16.941(4) (A) over circle, beta = 98.300(6)degrees, V = 2899.9(9) (A) over circle (3) and Z = 8; N-2-(4-picolyl)-N-1-2-thiomethoxyphenylthiourea, 4PicTu2SMe, monoclinic P2(1) /a, a = 9.44(5), b = 18.18(7), c = 8.376(12) (A) over circle, beta = 91.62(5)degrees, V = 1437(l) (A) over circle (3) and Z = 4; N-1-2-(5-picolyl)-N-1-2-thiomethoxyphenylthiourea, 5PicTu2SMe, monoclinic, C2/c, a = 21.807(2), b = 7.5940(9), c = 17.500(2), (A) over circle beta = 93.267(6)degrees, V = 2893.3(5) (A) over circle (3) and Z = 8; N-2-(6-picolyl)-N-1-2-thiomethoxyphenylthiourea, 6PicTu2SMe, monoclinic, P2(1)/c, a = 8.499(4), b = 7.819(2), c = 22.291(8) (A) over circle, beta = 90.73(3)degrees, V = 1481.2(9) (A) under circle (3) and Z = 4 and N-2-(4,6-lutidyl)-N-1-2-thiomethoxyphenyl-thiourea, 4,6LutTu2SMe, monoclinic, P2(1)/c, a = 11.621(l), b = 9.324(l), c = 14.604(1),(A) over circle, beta = 96.378(4)-, V = 1572.4(2) (A) over circle (3) and Z = 4. Comparisons with other N-2-pyridyl-N-1-arylthioureas having substituents n the 2-position of the aryl ring are included. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-2860(02)00300-9

文献信息

• Structural and spectral studies of N-2-(pyridyl)-, N-2-(3-, 4-, 5-, and 6-picolyl)- and N-2-(4,6-lutidyl)-N′-2-thiomethoxyphenylthioureas
  作者：Werner Kaminsky、Diantha R. Kelman、James M. Giesen、Karen I. Goldberg、Kacey A. Claborn、Lisa F. Szczepura、Douglas X. West

  DOI：10.1016/s0022-2860(02)00300-9

  日期：2002.10

  Structures of the following compounds have been obtained: N-(2-pyridyl)-N-1-2-thiomethoxyphenylthiourea, PyTu2SMe, monoclinic, P2(1)/c(1) a = 11.905(3), b = 4.7660(8), c = 23,532(6) (A) over circle, beta = 95.993(8)degrees, V = 1327.9(5) (A) over circle (3) and Z = 4; N-2-(3-picolyl)-N-1-2-thiomethoxyphenyl-thiourea, 3PicTu2SeMe, monoclinic, C2/c, a = 22.870(5), b = 7.564(l), c = 16.941(4) (A) over circle, beta = 98.300(6)degrees, V = 2899.9(9) (A) over circle (3) and Z = 8; N-2-(4-picolyl)-N-1-2-thiomethoxyphenylthiourea, 4PicTu2SMe, monoclinic P2(1) /a, a = 9.44(5), b = 18.18(7), c = 8.376(12) (A) over circle, beta = 91.62(5)degrees, V = 1437(l) (A) over circle (3) and Z = 4; N-1-2-(5-picolyl)-N-1-2-thiomethoxyphenylthiourea, 5PicTu2SMe, monoclinic, C2/c, a = 21.807(2), b = 7.5940(9), c = 17.500(2), (A) over circle beta = 93.267(6)degrees, V = 2893.3(5) (A) over circle (3) and Z = 8; N-2-(6-picolyl)-N-1-2-thiomethoxyphenylthiourea, 6PicTu2SMe, monoclinic, P2(1)/c, a = 8.499(4), b = 7.819(2), c = 22.291(8) (A) over circle, beta = 90.73(3)degrees, V = 1481.2(9) (A) under circle (3) and Z = 4 and N-2-(4,6-lutidyl)-N-1-2-thiomethoxyphenyl-thiourea, 4,6LutTu2SMe, monoclinic, P2(1)/c, a = 11.621(l), b = 9.324(l), c = 14.604(1),(A) over circle, beta = 96.378(4)-, V = 1572.4(2) (A) over circle (3) and Z = 4. Comparisons with other N-2-pyridyl-N-1-arylthioureas having substituents n the 2-position of the aryl ring are included. (C) 2002 Elsevier Science B.V. All rights reserved.