sulphur-amine | 12033-56-6

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 均质其他非金属化合物
• 英文名称: sulphur-amine
• 英文别名: sulfur-amine；aminosulfur
• CAS: 12033-56-6
• 化学式: H₂NS
• 分子量: 48.0886
• InChiKey: PSDYQSWHANEKRV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  2
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  27
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  羰基硫 、 氨 以 neat (no solvent) 为溶剂， 生成 sulphur-amine
  参考文献：
  名称：

  Microwave spectrum and molecular structure of the H2NS radical

  摘要：

  The rotational spectral lines of the H2NS and D2NS radicals in the X̃2B1 electronic ground state are observed with a source-modulation microwave spectrometer and a Fourier-transform microwave spectrometer. Molecular constants including hyperfine interaction constants are determined for H2NS and D2NS by a least-squares method. By using the obtained centrifugal distortion constants and inertial defects, the harmonic force field is evaluated, and the frequency of the ν4 vibrational mode (out of plane) is calculated to be 325 cm−1. This value is much smaller than that of the related molecule H2CS, indicating a floppy motion along the out-of-plane mode. The zero-point vibrational average structure was determined as follows; rz(N–H)=1.000(5) Å, rz(N–S)=1.6398(13) Å, and ∠z(HNH)=118.9(7)°, where the numbers in parentheses represent three times the standard deviation.

  DOI：

  10.1063/1.476876

文献信息

• Microwave spectrum and molecular structure of the H2NS radical
  作者：Hideta Habara、Satoshi Yamamoto、Shuji Saito

  DOI：10.1063/1.476876

  日期：1998.8.15

  The rotational spectral lines of the H2NS and D2NS radicals in the X̃2B1 electronic ground state are observed with a source-modulation microwave spectrometer and a Fourier-transform microwave spectrometer. Molecular constants including hyperfine interaction constants are determined for H2NS and D2NS by a least-squares method. By using the obtained centrifugal distortion constants and inertial defects, the harmonic force field is evaluated, and the frequency of the ν4 vibrational mode (out of plane) is calculated to be 325 cm−1. This value is much smaller than that of the related molecule H2CS, indicating a floppy motion along the out-of-plane mode. The zero-point vibrational average structure was determined as follows; rz(N–H)=1.000(5) Å, rz(N–S)=1.6398(13) Å, and ∠z(HNH)=118.9(7)°, where the numbers in parentheses represent three times the standard deviation.