S-(2-(4,4-dimethyl-2-oxoimidazolidin-1-yl)ethyl)ethanethioate | 1310681-20-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: S-(2-(4,4-dimethyl-2-oxoimidazolidin-1-yl)ethyl)ethanethioate
• 英文别名: S-(2-(4,4-dimethyl-2-oxoimidazolidin-1-yl)ethyl) ethanethioate；S-[2-(4,4-dimethyl-2-oxoimidazolidin-1-yl)ethyl] ethanethioate
• CAS: 1310681-20-9
• 化学式: C₉H₁₆N₂O₂S
• 分子量: 216.304
• InChiKey: QTNRENHNBQBGBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  74.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  S-(2-(4,4-dimethyl-2-oxoimidazolidin-1-yl)ethyl)ethanethioate 在 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 反应 18.0h， 以100%的产率得到1-(2-mercaptoethyl)-4,4-dimethylimidazolidin-2-one
  参考文献：
  名称：

  Novel N-chloroheterocyclic antimicrobials

  摘要：

  Antimicrobial compounds with broad-spectrum activity and minimal potential for antibiotic resistance are urgently needed. Toward this end, we prepared and investigated a novel series of N-chloroheterocycles. Of the compounds examined, the N-chloroamine series were found superior over N-chloroamide series in regards to exhibiting high antimicrobial activity, low cytotoxicity, and long-term aqueous stability. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.03.035
• 作为产物：
  描述：

  1-(2-hydroxyethyl)-4,4-dimethylimidazolidin-2-one 在 吡啶 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 38.0h， 生成 S-(2-(4,4-dimethyl-2-oxoimidazolidin-1-yl)ethyl)ethanethioate
  参考文献：
  名称：

  [EN] ANTIMICROBIAL POLYETHER AND POLYOL COMPOUNDS
  [FR] COMPOSÉS POLYÉTHER ET POLYOL ANTIMICROBIENS

  摘要：

  公开号：

  WO2012054521A8

文献信息

• Substituted N,N-dihaloamines as antimicrobials
  申请人：Jain Rakesh K.

  公开号：US09248117B2

  公开（公告）日：2016-02-02

  The present application describes compounds of Formula I: which are antimicrobial agents, including antibacterial, disinfectant, antifungal, germicidal and/or antiviral agents.

  本申请描述了I式化合物，这些化合物是抗微生物剂，包括抗菌剂、消毒剂、抗真菌剂、杀菌剂和/或抗病毒剂。
• [EN] ANTIMICROBIAL POLYETHER AND POLYOL COMPOUNDS<br/>[FR] COMPOSÉS POLYÉTHER ET POLYOL ANTIMICROBIENS
  申请人：NOVABAY PHARMACEUTICALS INC

  公开号：WO2012054521A8

  公开（公告）日：2012-08-30
• Antimicrobial Polyether and Polyol Compounds
  申请人：Jain Rakesh K.

  公开号：US20120129793A1

  公开（公告）日：2012-05-24

  The present application describes compounds of Formula I and Formula IA and as disclosed herein, that are useful as anti-microbial agents, including as antibacterial, disinfectant, antifungal, germicidal or antiviral agents.
• US9248117B2
  申请人：——

  公开号：US9248117B2

  公开（公告）日：2016-02-02
• Novel N-chloroheterocyclic antimicrobials
  作者：Charles Francavilla、Eric D. Turtle、Bum Kim、Donogh J.R. O’Mahony、Timothy P. Shiau、Eddy Low、Nichole J. Alvarez、Chris E. Celeri、Louisa D’Lima、Lisa C. Friedman、Francis S. Ruado、Ping Xu、Meghan E. Zuck、Mark B. Anderson、Ramin (Ron) Najafi、Rakesh K. Jain

  DOI：10.1016/j.bmcl.2011.03.035

  日期：2011.5

  Antimicrobial compounds with broad-spectrum activity and minimal potential for antibiotic resistance are urgently needed. Toward this end, we prepared and investigated a novel series of N-chloroheterocycles. Of the compounds examined, the N-chloroamine series were found superior over N-chloroamide series in regards to exhibiting high antimicrobial activity, low cytotoxicity, and long-term aqueous stability. (C) 2011 Elsevier Ltd. All rights reserved.