S-chloro-N-(chlorothio)thiohydroxylammonium trifluoromethanesulfonate | 145854-66-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: S-chloro-N-(chlorothio)thiohydroxylammonium trifluoromethanesulfonate
• CAS: 145854-66-6
• 化学式: CF₃O₃S*Cl₂NS₂
• 分子量: 298.115
• InChiKey: IWCVVQZKTKKQKZ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.25
• 重原子数：
  13.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  71.3
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  S-chloro-N-(chlorothio)thiohydroxylammonium trifluoromethanesulfonate 在 SnCl₂ 作用下， 以 二氧化硫 为溶剂， 以70%的产率得到
  参考文献：
  名称：

  A general route to N(SCl)2 + and SNS+ salts

  摘要：

  A 1:3 mixture of (NSCl)3 and AgX (where X is a 'hard' anion) in liquid SO2 act as a convenient source of [SN]X. The reactivity of salts of this SN+ cation towards sulfur and SCl2 has been examined. Reaction of (NSCl)3 with AgX (X = AsF6, SbF6 or CF3SO3) and SCl2 in liquid SO2 gave [N(SCl)2]X in high yield (> 75%). Reduction of these salts with SnCl2 provides a convenient route to the corresponding [SNS]X salts. Replacement of SCl2 by sulfur in the (NSCl)3 + AgCF3SO3 reaction yields only ca. 30% [SNS][CF3SO3]. The other main product is [S6N4][CF3SO3]2 which crystallises in the space group P2(1)/n [Z = 2, a = 8.632(4), b = 10.614(8), c = 8.387(6) angstrom, beta = 90.79(5)-degrees, R = 0.025] and shows similar intermolecular S ... O contacts to [S6N4][ClS2O6]2 [P1BAR, Z = 1, a = 7.689(1), b = 10.726(1), c = 6.614(1) angstrom, alpha = 101.00(2), beta = 114.42(2), gamma = 90.35(2)-degrees, R = 0.031]. The relative reactivities of the different SNS+ salts with PhCN lie in the order AsF6- > SbCl6- > CF3SO3- > SbF6- > AlCl4-. The structure of [PhCNSNS][AsF]6 has been determined: space group P2(1)/a, Z = 4, a = 10.824(5), b = 8.287(2), c = 13.599(3) angstrom, beta = 106.32(4)-degrees, R = 0.055.

  DOI：

  10.1039/dt9920003097
• 作为产物：
  描述：

  trithiazyl trichloride 、 二氯化硫 、 silver trifluoromethanesulfonate 以 二氧化硫 为溶剂， 以75%的产率得到S-chloro-N-(chlorothio)thiohydroxylammonium trifluoromethanesulfonate
  参考文献：
  名称：

  A general route to N(SCl)2 + and SNS+ salts

  摘要：

  A 1:3 mixture of (NSCl)3 and AgX (where X is a 'hard' anion) in liquid SO2 act as a convenient source of [SN]X. The reactivity of salts of this SN+ cation towards sulfur and SCl2 has been examined. Reaction of (NSCl)3 with AgX (X = AsF6, SbF6 or CF3SO3) and SCl2 in liquid SO2 gave [N(SCl)2]X in high yield (> 75%). Reduction of these salts with SnCl2 provides a convenient route to the corresponding [SNS]X salts. Replacement of SCl2 by sulfur in the (NSCl)3 + AgCF3SO3 reaction yields only ca. 30% [SNS][CF3SO3]. The other main product is [S6N4][CF3SO3]2 which crystallises in the space group P2(1)/n [Z = 2, a = 8.632(4), b = 10.614(8), c = 8.387(6) angstrom, beta = 90.79(5)-degrees, R = 0.025] and shows similar intermolecular S ... O contacts to [S6N4][ClS2O6]2 [P1BAR, Z = 1, a = 7.689(1), b = 10.726(1), c = 6.614(1) angstrom, alpha = 101.00(2), beta = 114.42(2), gamma = 90.35(2)-degrees, R = 0.031]. The relative reactivities of the different SNS+ salts with PhCN lie in the order AsF6- > SbCl6- > CF3SO3- > SbF6- > AlCl4-. The structure of [PhCNSNS][AsF]6 has been determined: space group P2(1)/a, Z = 4, a = 10.824(5), b = 8.287(2), c = 13.599(3) angstrom, beta = 106.32(4)-degrees, R = 0.055.

  DOI：

  10.1039/dt9920003097