hydroxythiourea | 42008-54-8

• 分子结构分类: 有机化合物 - 有机硫化合物
• 英文名称: hydroxythiourea
• 英文别名: N-Hydroxythioharnstoff；N-Hydroxythiourea
• CAS: 42008-54-8
• 化学式: CH₄N₂OS
• 分子量: 92.1216
• InChiKey: QFUVRXBMUCPEMV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  59.6
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  hydroxythiourea 在 一水合肼 作用下， 反应 1.0h， 生成 N-hydroxythiosemicarbazide
  参考文献：
  名称：

  N-Hydroxythiosemicarbazones: Synthesis and in vitro antitubercular activity

  摘要：

  N-Hydroxythiosemicarbazide was prepared by two methods starting from 2,4-dimethoxy benzyl amine and hydroxylamine hydrochloride, which in turn was reacted with various aldehydes and ketones to obtain the titled compounds. Eighteen compounds were tested for their in vitro activity against Mycobacterium tuberculosis H37Rv using the agar dilution method. Compound 10p was found to be the most potent compound (MIC: 0.28 mu M) and was 2.5 times more active than standard isoniazid. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.037
• 作为产物：
  描述：

  1-(2,4-dimethoxybenzyl)-3-hydroxythiourea 在 三氟乙酸 作用下， 生成 hydroxythiourea
  参考文献：
  名称：

  Synthesis of N-hydroxythiourea

  摘要：

  The synthesis of the title compound (1) was accomplished by the conversion of 2,4-dimethoxybenzylamine (2) into an isothiocyanate (3) using thiocarbonyl diimidazole. Treatment of 3 with hydroxylamine and removal of the DMB group with trifluoroacetic acid gave 1. N-Hydroxythiourea (1) showed no activity in the L1210 mouse tumor.

  DOI：

  10.1021/jm00224a028

文献信息

• Synthesis of N-hydroxythiourea
  作者：Masayuki Sato、Charles H. Stammer

  DOI：10.1021/jm00224a028

  日期：1976.2

  The synthesis of the title compound (1) was accomplished by the conversion of 2,4-dimethoxybenzylamine (2) into an isothiocyanate (3) using thiocarbonyl diimidazole. Treatment of 3 with hydroxylamine and removal of the DMB group with trifluoroacetic acid gave 1. N-Hydroxythiourea (1) showed no activity in the L1210 mouse tumor.
• N-Hydroxythiosemicarbazones: Synthesis and in vitro antitubercular activity
  作者：Dharmarajan Sriram、Perumal Yogeeswari、Prathiba Dhakla、Palaniappan Senthilkumar、Debjani Banerjee

  DOI：10.1016/j.bmcl.2007.01.037

  日期：2007.4

  N-Hydroxythiosemicarbazide was prepared by two methods starting from 2,4-dimethoxy benzyl amine and hydroxylamine hydrochloride, which in turn was reacted with various aldehydes and ketones to obtain the titled compounds. Eighteen compounds were tested for their in vitro activity against Mycobacterium tuberculosis H37Rv using the agar dilution method. Compound 10p was found to be the most potent compound (MIC: 0.28 mu M) and was 2.5 times more active than standard isoniazid. (c) 2007 Elsevier Ltd. All rights reserved.