3-Methylthio-thiophene-2-carboxamide | 78031-19-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 3-Methylthio-thiophene-2-carboxamide
• 英文别名: 3-methylsulfanylthiophene-2-carboxamide
• CAS: 78031-19-3
• 化学式: C₆H₇NOS₂
• mdl: MFCD20547543
• 分子量: 173.26
• InChiKey: YAISXCVTYWZHNP-UHFFFAOYSA-N

物化性质

• 沸点：
  331.6±27.0 °C(Predicted)
• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  96.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-(甲硫基)-2-噻吩甲酰氯 在 氨 作用下， 以 乙醚 为溶剂， 生成 3-Methylthio-thiophene-2-carboxamide
  参考文献：
  名称：

  The fragmentation of 5- and 3-substituted thiophene-2-carboxamides under electron impact

  摘要：

  AbstractThe 70 eV electron impact mass spectra of twelve 5‐ and 3‐substituted thiophene‐2‐carboxamides are discussed with the aid of exact mass measurements and labelling experiments. All mass spectra exhibit pronounced molecular ions. Some isomeric 5‐ and 3‐substituted title compounds can be differentiated by mass spectrometry. The fragmentation is influenced by a strong ‘ortho‐effect’ which activates the NH3 elimination. In the other cases the most important fragmentation is NH2˙ loss, followed by CO elimination.

  DOI：

  10.1002/oms.1210151207

文献信息

• The fragmentation of 5- and 3-substituted thiophene-2-carboxamides under electron impact
  作者：Salvatore Occhipinti、Gaetano Alberghina、Salvatore Fisichella、Orazio Puglisi、Leopoldo Ceraulo

  DOI：10.1002/oms.1210151207

  日期：1980.12

  AbstractThe 70 eV electron impact mass spectra of twelve 5‐ and 3‐substituted thiophene‐2‐carboxamides are discussed with the aid of exact mass measurements and labelling experiments. All mass spectra exhibit pronounced molecular ions. Some isomeric 5‐ and 3‐substituted title compounds can be differentiated by mass spectrometry. The fragmentation is influenced by a strong ‘ortho‐effect’ which activates the NH3 elimination. In the other cases the most important fragmentation is NH2˙ loss, followed by CO elimination.