methyl thioallophanimidate | 41160-90-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 异硫脲类
• 英文名称: methyl thioallophanimidate
• 英文别名: 2-Methyl-2-thiopseudobiuret；methyl N-carbamoylcarbamimidothioate
• CAS: 41160-90-1
• 化学式: C₃H₇N₃OS
• mdl: MFCD19205325
• 分子量: 133.174
• InChiKey: QZSYOSWKEJFJIV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  methyl thioallophanimidate 在 selenium 、 碳酸氢钠 作用下， 以 乙醇 为溶剂， 生成 2-Selenobiuret
  参考文献：
  名称：

  Selenium analogs of biuret

  摘要：

  DOI：

  10.1021/jo00935a030

文献信息

• Herbicidal allophanimidates
  申请人：E. I. Du Pont de Nemours and Company

  公开号：US04017529A1

  公开（公告）日：1977-04-12

  Herbicidal allophanimidic acid esters of the formula: ##STR1## where R.sub.1, R.sub.2, R.sub.4 and R.sub.5 are selected from hydrogen and certain organic radicals, at least one of them being an organic radical; R.sub.3 is selected from hydrogen and certain organic radicals; R.sub.6 is selected from certain organic radicals; and X.sub.1, x.sub.2, and X.sub.3 are selected from oxygen and sulfur; And salts of the above compounds in which R.sub.3 is hydrogen. Preparation of the compounds by carbamoylation of ##STR2## or by reaction of ammonia or an amine with ##STR3## where Y is --SCH.sub.3, --Cl, or ##STR4## An exemplary compound: methyl N-dimethylcarbamoyl-4-tert-butylthioallophanimidate.

  配方为##STR1##的除草异热酰脲酸酯，其中R.sub.1、R.sub.2、R.sub.4和R.sub.5选自氢和某些有机基团，其中至少一个为有机基团；R.sub.3选自氢和某些有机基团；R.sub.6选自某些有机基团；X.sub.1、x.sub.2和X.sub.3选自氧和硫；以及上述化合物的盐，在其中R.sub.3为氢。通过对##STR2##进行氨基甲酰化或通过氨或胺与##STR3##反应来制备这些化合物，其中Y为--SCH.sub.3、--Cl或##STR4## 一个示例化合物：甲基N-二甲基氨基甲酰-4-叔丁基硫异热酰脲酸酯。
• SAR studies on dihydropyrimidinone antibiotics
  作者：Lianhong Xu、Lijun Zhang、Robert Jones、Clifford Bryant、Nina Boddeker、Eric Mabery、Gina Bahador、Julia Watson、Jeffery Clough、Murty Arimilli、Wendy Gillette、Dorothy Colagiovanni、Keyu Wang、Craig Gibbs、Choung U. Kim

  DOI：10.1016/j.bmcl.2011.01.099

  日期：2011.3

  There is an urgent need for the development of novel antimicrobial agents that offer effective treatment against MRSA. Using a new class of dipeptide antibiotic TAN-1057A/B as lead, we designed, synthesized and evaluated analogs of TAN-1057A/B. Several novel dihydropyrimidinone antibiotics demonstrating comparable antibiotic efficacy while possessing favorable selectivity were identified. (C) 2011 Elsevier Ltd. All rights reserved.