硫代羟胺 | 14097-00-8

• 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
• 中文名称: 硫代羟胺
• 英文名称: thioamine
• 英文别名: beta-aminothiol；sulfinamide；sulfenamide；amino hydrofen sulfide；amino mercaptan；monoamine-monothiol；mercapto amine；amino-thiol；Aminothiol；thiohydroxylamine
• CAS: 14097-00-8
• 化学式: H₃NS
• 分子量: 49.0965
• InChiKey: RSPCKAHMRANGJZ-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：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  硫化氢 、 氮气 以 neat (no solvent, gas phase) 为溶剂， 生成 硫代羟胺
  参考文献：
  名称：

  N2 和 H2S 排放的反应产物：NH2SH 的微波光谱

  摘要：

  摘要 硫羟胺已被确定为N 2 + H 2 S 放电反应的反应产物之一。已观察到顺式和反式构象异构体。已经研究了 56 到 170 GHz 范围内正常物质和每个构象异构体的几种氘化同位素物质的旋转光谱。两种构象异构体的电偶极矩已经确定。由于 14 N 核的核四极矩，顺式构象异构体的许多转变表现出分裂。频率分裂的最小二乘拟合导致了对 eQq 值的分析。使用具有和不具有极化函数的 4-31G 基组进行了从头算计算，以帮助分析并提供与微波结果的最终结构比较。

  DOI：

  10.1016/0022-2852(83)90089-9
• 作为试剂：
  描述：

  N-乙酰苯胺 在 甲酸 、 硫代羟胺 、 sodium acetate 作用下， 以 甲醇 、 乙醇 、 三氯氧磷 为溶剂， 反应 43.17h， 生成 2-(2-chloroquinolin-3-yl)-4-(4-fluorophenyl)thiazole
  参考文献：
  名称：

  In vitro Antibacterial, ADME and Toxicity Screening of Newly Synthesized 4-(Substituted phenyl)-2-(2-chloroquinolin-3-yl)thiazoles

  摘要：

  A series of novel thiazole (Va-o) compounds were synthesized following multi-step synthetic process. Using analytical methods like nuclear magnetic resonance, mass spectrometry and FTIR, the elucidation of the structure of the synthesized compounds was performed. All the 15 novel thiazoles were assessed for their antibacterial activity. The synthesized thiazoles were examined for inhibitory antibacterial activity against a panel Gram-positive strain viz. Staphylococcus aureus (NCTC 65710), Streptococcus pyogenes (MTCC-442), Bacillus subtilis (NCIM 2250) and Gram-negative bacteria Pseudomonas aeruginosa (NCTC 10662) and Escherichia coli (NCTC 10418) by agar well diffusion technique. It was observed that some of the compounds, particularly those having substitution groups like chloro, fluoro and bromo in the phenyl ring bonded to thiazole nucleus, had moderate to good antibacterial activity. Quinoline clubbed thiazoles compounds Vk, Vl, Vn and Vo showed significant antibacterial against all bacterial strains having values of minimum inhibitory concentration (MIC) from 12.5 to 25 µg/mL. The results of antimicrobial investigation suggest that 2-chloroquinoline incorporated thiazole scaffold appears to more promising for developing potent antibacterial agents. Genome gyrase docking experiments (PDB ID: 1KZN) revealed a favourable binding relationship similar to that of the pre-occupied ligand clorobiocin. The study also provides in silico ADME and toxicity studies evaluation which revealed that compounds are impartially compatible and were devoid of potential toxicity except the hepatotoxicity.

  DOI：

  10.14233/ajchem.2024.31700

文献信息

• Reaction products from a discharge of N2 and H2S: The microwave spectrum of NH2SH
  作者：F.J. Lovas、R.D. Suenram、W.J. Stevens

  DOI：10.1016/0022-2852(83)90089-9

  日期：1983.8

  Abstract Thiohydroxylamine has been identified as one of the reaction products from the discharge reaction of N 2 + H 2 S. Both cis and trans conformers have been observed. The rotational spectra have been studied from 56 to 170 GHz for the normal species and several deuterated isotopic species of each conformer. The electric dipole moments of both conformers have been determined. A number of the transitions

  摘要 硫羟胺已被确定为N 2 + H 2 S 放电反应的反应产物之一。已观察到顺式和反式构象异构体。已经研究了 56 到 170 GHz 范围内正常物质和每个构象异构体的几种氘化同位素物质的旋转光谱。两种构象异构体的电偶极矩已经确定。由于 14 N 核的核四极矩，顺式构象异构体的许多转变表现出分裂。频率分裂的最小二乘拟合导致了对 eQq 值的分析。使用具有和不具有极化函数的 4-31G 基组进行了从头算计算，以帮助分析并提供与微波结果的最终结构比较。