3-Oxo-2--1,4-thiazancarbonsaeure-(5) | 90566-45-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3-Oxo-2--1,4-thiazancarbonsaeure-(5)
• 英文别名: 3-Oxo-2--1,4-thiazincarbonsaeure-(5)；6-(ethylcarbamoyl-methyl)-5-oxo-thiomorpholine-3-carboxylic acid；6-[2-(Ethylamino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylic acid
• CAS: 90566-45-3
• 化学式: C₉H₁₄N₂O₄S
• 分子量: 246.287
• InChiKey: FBCLBJULAOMFOC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  121
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  S-(N-Ethylsuccinimido)cystein 在 氢氧化钾 作用下， 反应 36.0h， 生成 3-Oxo-2--1,4-thiazancarbonsaeure-(5)
  参考文献：
  名称：

  Some Reactions of N-Ethylmaleimide¹

  摘要：

  The reactions of N-ethylmaleimide (NEM) with the amino group of peptides, with imidazole and with cysteine have been investigated. With the first two classes of compound, an IN-acylation reaction appears to occur, followed in the case of imidazole by a catalytic polymerization of NEM. With cysteine, reaction proceeds through addition of the thiol to the olefinic bond of NEM; in alkaline solution, the cysteine adduct undergoes all intramolecular transamidation reaction to form a thiazane derivative.

  DOI：

  10.1021/ja01502a039