1-(6-chloro-benzothiazol-2-yl)-3-ethyl-thiourea | 18704-01-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 1-(6-chloro-benzothiazol-2-yl)-3-ethyl-thiourea
• 英文别名: 1-(6-Chloro-1,3-benzothiazol-2-yl)-3-ethylthiourea
• CAS: 18704-01-3
• 化学式: C₁₀H₁₀ClN₃S₂
• 分子量: 271.794
• InChiKey: QTGKRPGROHTEEL-UHFFFAOYSA-N

物化性质

• 沸点：
  389.0±34.0 °C(Predicted)
• 密度：
  1.473±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  97.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(6-chloro-benzothiazol-2-yl)-3-ethyl-thiourea 在 sodium acetate 、 三乙胺 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 51.0h， 生成
  参考文献：
  名称：

  Synthesis and Antimalarial Efficacy of Aza-Fused Rhodacyanines in Vitro and in the P. berghei Mouse Model

  摘要：

  Several aza-fused rhodacyanines were synthesized and assessed for their in vitro and in vivo antimalarial activities against Plasmodium falciparum K1 and P. berghei. All synthetic compounds showed strong selective antimalarial in vitro activity. Class II azarhodacyanines, 3, consisting of four heterocyclic units, were found to display good parasitemia suppression and low acute toxicity in vivo. Among them, 3c appeared to be the most effective at a dose of 20-25 mg kg-1 day-1 (ip).

  DOI：

  10.1021/jm0606241
• 作为产物：
  描述：

  2-氨基-6-氯苯并噻唑 、 异硫氰酸乙酯 生成 1-(6-chloro-benzothiazol-2-yl)-3-ethyl-thiourea
  参考文献：
  名称：

  Singh,G.C., Journal of the Indian Chemical Society, 1968, vol. 45, p. 27 - 28

  摘要：

  DOI：

文献信息

• Synthesis and Antimalarial Efficacy of Aza-Fused Rhodacyanines in Vitro and in the <i>P. berghei </i>Mouse Model
  作者：Kiyosei Takasu、Khanitha Pudhom、Marcel Kaiser、Reto Brun、Masataka Ihara

  DOI：10.1021/jm0606241

  日期：2006.7.1

  Several aza-fused rhodacyanines were synthesized and assessed for their in vitro and in vivo antimalarial activities against Plasmodium falciparum K1 and P. berghei. All synthetic compounds showed strong selective antimalarial in vitro activity. Class II azarhodacyanines, 3, consisting of four heterocyclic units, were found to display good parasitemia suppression and low acute toxicity in vivo. Among them, 3c appeared to be the most effective at a dose of 20-25 mg kg-1 day-1 (ip).
• Singh,G.C., Journal of the Indian Chemical Society, 1968, vol. 45, p. 27 - 28
  作者：Singh,G.C.

  DOI：——

  日期：——