methyl N-dimethylcarbamoyl-4,4-dimethylthioallophanimidate | 41160-93-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: methyl N-dimethylcarbamoyl-4,4-dimethylthioallophanimidate
• 英文别名: methyl N,N'-bis(dimethylcarbamoyl)carbamimidothioate
• CAS: 41160-93-4
• 化学式: C₈H₁₆N₄O₂S
• 分子量: 232.307
• InChiKey: QXAINDKQOUIHHQ-UHFFFAOYSA-N

物化性质

• 密度：
  1.17±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  90.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-dimethylcarbamoyl-1-methylthioformimidoyl chloride 在 ammonium hydroxide 作用下， 生成 methyl N-dimethylcarbamoyl-4,4-dimethylthioallophanimidate
  参考文献：
  名称：

  DE2245393

  摘要：

  公开号：

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.

  草酸性异相聚酰胺酸酯的化学式为：##STR1## 其中R.sub.1、R.sub.2、R.sub.4和R.sub.5可选自氢和某些有机基团，其中至少一个是有机基团；R.sub.3可选自氢和某些有机基团；R.sub.6可选自某些有机基团；X.sub.1、x.sub.2和X.sub.3可选自氧和硫；以及上述化合物的盐，其中R.sub.3为氢。通过对##STR2##进行氨基甲酰化反应或通过氨或胺与##STR3##反应制备上述化合物，其中Y为--SCH.sub.3、--Cl或##STR4##一种典型的化合物为：甲基N-二甲基氨基甲酰基-4-叔丁基硫代异相聚酰胺酸酯。
• Anti-cancer compounds
  申请人：THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：US10562886B2

  公开（公告）日：2020-02-18

  This invention provides, among other things, compounds useful for treating diseases such as cancer, pharmaceutical formulations containing such compounds, as well as combinations of these compounds with at least one additional therapeutic agent.

  除其他外，本发明还提供了用于治疗癌症等疾病的化合物、含有此类化合物的药物制剂，以及这些化合物与至少一种额外治疗剂的组合。
• ANTI-CANCER COMPOUNDS
  申请人：The REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：US20180354932A1

  公开（公告）日：2018-12-13

  This invention provides, among other things, compounds useful for treating diseases such as cancer, pharmaceutical formulations containing such compounds, as well as combinations of these compounds with at least one additional therapeutic agent.
• US4017529A
  申请人：——

  公开号：US4017529A

  公开（公告）日：1977-04-12