| 80182-50-9

• CAS: 80182-50-9
• 化学式: N₄S₄
• 分子量: 188.264
• InChiKey: LTPQFVPQTZSJGS-JCDJMFQYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.03
• 重原子数：
  8.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  49.44
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  在 SnCl₂ 作用下， 以 甲醇 为溶剂， 生成 1,3,5,7,2,4,6,8-tetrathiatetrazocane-15N4
  参考文献：
  名称：

  四硫化四亚胺（SNH）4的振动分配和力常数

  摘要：

  首次记录了（S 15 NH）4和（S 15 ND）4的红外和拉曼光谱。将该光谱与先前报道的（S 14 NH）4和（S 14 ND）4的光谱进行比较。观测到的同位素位移支持Steudel和Rose于1977年发表的振动分配和力常数，而Turowski等人于1978年发表的替代分配。而Domingo和Orza则显示出部分错误。

  DOI：

  10.1016/0166-1280(82)80020-1
• 作为产物：
  描述：

  以 氨 为溶剂， 生成
  参考文献：
  名称：

  Parkin, Ivan P.; Woollins, J. Derek; Belton, Peter S., Journal of the Chemical Society, Dalton Transactions

  摘要：

  DOI：

文献信息

• Vibrational Spectrum and Gas-Phase Structure of Disulfur Dinitride (S₂N₂)
  作者：Agnes Perrin、Andrea Flores Antognini、Xiaoqing Zeng、Helmut Beckers、Helge Willner、Guntram Rauhut

  DOI：10.1002/chem.201402404

  日期：2014.8.11

  Gas‐phase FTIR spectra of the ν6 (B‐type) and the ν4 (C‐type) fundamental bands of S2N2 (D2h) were recorded with a resolution of ≤0.004 cm−1 and the vibrational spectrum of S2N2 (D2h) in solid Ar has been revisited. All IR‐active fundamentals and four combination bands were assigned in excellent agreement with calculated values from anharmonic VPT2 and VCI theory based on (explicitly correlated) coupled‐cluster

  在ν的气相FTIR光谱6（B型）和ν 4（C型）的S的基本频带2 Ñ 2（d 2 ħ）记录用的≤0.004-1的分辨率-1和振动光谱固体Ar中S 2 N 2（D 2 h）的含量已被重新研究。所有IR有源基波和四个组合谱带均与基于（显式相关）耦合群集表面的非谐VPT2和VCI理论的计算值完全一致。精确的实验振动基态和激发态旋转常数为32 S 214 Ñ 2从ν的振转分析获得6和ν 4基本频带，和精确的零点平均r Ž（ř Ž（SN）= 1.647694（95）埃，α Ž（NSN）= 91.1125（33）度）和半实验平衡结构（- [R è（SN）= 1.64182（33）埃，α è（NSN）= 91.0716（93）°）S的2 ñ 2已经建立。将这些与S 2 N 2的固态结构和相关硫氮化合物的结构性质以及从头算结构计算的结果进行了比较。
• Multinuclear NMR studies upon 15N labelled metalla-chalcogen-nitrogen complexes
  作者：Vanessa C. Ginn、Paul F. Kelly、J.Derek Woollins

  DOI：10.1016/s0277-5387(00)83444-0

  日期：1994.5

  The Se-77 and Te-125 NMR spectra of the complexes (Pt(Se2N2)PMe2Ph)2)-N-15 and (Pt(TeSN2)(PMe2Ph)2)-N-15 have been measured and reveal, in addition to N-15-P-31, Se-77-P-31 and Te-125-P-31 interactions, the presence of rare examples of (1JSe-N})-Se-77-N-15 and (1JTe-N})-Te-125-N-15 coupling constants.
• The preparation and X-ray structure of [NBu4][fac-PtBr3(S4N4)]
  作者：Vanessa C. Ginn、Paul F. Kelly、Alexandra M.Z. Slawin、David J. Williams、J.Derek Woollins

  DOI：10.1016/s0277-5387(00)88202-9

  日期：1993.5

  Reaction of [NBu4][Pt2Br6] with S4N4 gives the title compound, which has been characterized by N-15/Pt-195 NMR and X-ray crystallography. The anion consists of fused PtS2N2 and PtS3N2 rings with coordination to the platinum via two sulphur atoms and one nitrogen. The five-membered ring is essentially planar, whereas the six-membered ring is planar with the exception of the coordinated sulphur atom which is common to both rings. The N-S-N angles can be related to the magnitude of the 2JN-15-N-15} coupling constants.
• Synthesis and crystal structures of new palladium–sulfur–nitrogen complexes
  作者：Vanessa C. Ginn、Paul F. Kelly、Alexandra M. Z. Slawin、David J. Williams、J. Derek Woollins

  DOI：10.1039/dt9920000963

  日期：——

  The compound S4N4 reacts with [PPh4]2[Pd2X6] (X = Cl or Br) in CH2Cl2 to give a mixture of [PPh4]2[Pd2(mu-S2N2)X6], [PPh4]2[Pd2(mu-S3N2)X4] and [PPh4][Pd(S2N2H)X2]. Reaction of [PPh4]2[Pd2l6] with S4N4 in the same solvent yields an insoluble solid of empirical formula [PPh4][Pd2S6N6l3]. All these reactions were investigated by N-15 NMR spectroscopy using samples prepared from S4 N-15(4). Thermolysis of [PPh4]2[Pd2(mu-S2N2)Cl6] in CHCl3 gives an alternative polymorph (beta-form) of this, whereas photolysis causes the species to decompose. The crystal structures of [PPh4][Pd(S2N2H)Cl2], beta-[PPh4]2[Pd2(mu-S2N2)Cl6] and [PPh4]2[Pd2(mu-S2N2)Br6] have been determined.