次硫氰酸根 | 63296-34-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫氰酸盐
• 中文名称: 次硫氰酸根
• 英文名称: hypothiocyanite anion
• 英文别名: hypothiocyanite；Hypothiocyanite ion；oxido thiocyanate
• CAS: 63296-34-4
• 化学式: CNOS
• 分子量: 74.0831
• InChiKey: ZCZCOXLLICTZAH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  4
• 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：
  72.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  过氧单硫酸根 、 次硫氰酸根 以 水 为溶剂， 生成 硫酸酯 、 cyanosulfite(1-)
  参考文献：
  名称：

  详述动力学及硫氰酸根离子（SCN的氧化机理- ）由过一硫酸盐离子（HSO 5 - ）。次硫氰酸根离子（OSCN –）的形成和随后的氧化

  摘要：

  H 2 O 2的卤代过氧化物酶催化的体内硫氰酸根离子（SCN –）氧化对于产生抗微生物次硫氰酸根离子（OSCN –）十分重要，后者也易于被强体内氧化剂（即H 2）氧化O 2，OCl –，OBr –）。我们报告的多步氧化机理的详细调查过量SCN -与过一硫酸盐离子（HSO 5 -在过硫酸氢钾的形式）的范围为pH6.5至13.5。OSCN –在上述条件下，检测到该化合物是该反应的中间产物，并提出了动力学模型。此外，通过连续的反应步骤动力学分离，OSCN的直接氧化的速率常数-由HSO 5 -测定：ķ 2 =（1.6±0.1）×10 2中号-1小号-1在pH 13.5和ķ 2 H =（3.3±0.1）×10 3 M –1 s –1，pH为6.89。的基本步骤的估计激活参数的一个关键的评估显示，SCN的氧化-以及连续OSCN–通过HSO 5 –更有可能通过2e –转移步骤而不是1e –转移进行。

  DOI：

  10.1021/ic302544y
• 作为产物：
  描述：

  硫氰酸酯 在 柚皮素 、 双氧水 、 Myeloperoxidase 作用下， 以 aq. phosphate buffer 为溶剂， 生成 次硫氰酸根
  参考文献：
  名称：

  Flavonoids as promoters of the (pseudo-)halogenating activity of lactoperoxidase and myeloperoxidase

  摘要：

  In this study several flavonoids were tested for their potential to regenerate the (pseudo-)halogenating activity (hypothiocyanite formation) of the heme peroxidases lactoperoxidase (LPO) and myeloperoxidase (MPO) after hydrogen peroxide-mediated enzyme inactivation. Several flavonoid subclasses with varying hydroxylation patterns (especially of the flavonoid B-ring) were examined in order to identify structural properties of efficient enzyme regenerators. Kinetic parameters and second-order rate constants were determined. A 3',4'-dihydroxylated B-ring together with C-ring saturation and hydroxylation were found to be important structural elements, which strongly influence the flavonoid binding and oxidizability by the LPO/MPO redox intermediates Compounds I and II. In combination with docking studies these results allow an understanding of the differences between flavonoids that promote the hypothiocyanite production by LPO and MPO and those that inhibit this enzymatic reaction. (C) 2016 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.freeradbiomed.2016.06.026

文献信息

• On Electrochemical oxidation of thiocyanates in solutions for cyanidation of gold-containing ores and concentrates
  作者：T. A. Kenova、V. L. Kormienko、S. V. Drozdov

  DOI：10.1134/s1070427210090156

  日期：2010.9

  Effect of hydrogen peroxide on the electrochemical oxidation of thiocyanate-containing solutions was studied.
• Redox Buffering of Hypochlorous Acid by Thiocyanate in Physiologic Fluids
  作者：Michael T. Ashby、Amy C. Carlson、M. Jared Scott

  DOI：10.1021/ja0438361

  日期：2004.12.1

  The major antimicrobial products of neutrophilic myeloperoxidase (MPO) in physiologic fluids are hypochlorous acid (HOCl) and hypothiocyanite (OSCN-), and the former is generally believed to be the killing agent. However, we have determined that HOCl oxidizes SCN- in a facile nonenzymic reaction. The observed kinetics and computational models substantiate the hypothesis that SCN- serves to moderate the potential autotoxicity of HOCl by restricting its lifetime in physiologic fluids. Furthermore, the oxidizing equivalents of HOCl are preserved in OSCN-, a more discriminate biocide that is not lethal to mammalian cells.