22047-43-4 (过氧单硫酸盐,Peroxymonosulfate)

快速询单

结构式：

过氧单硫酸盐MOL文件

CAS号：

22047-43-4

中文名称：

过氧单硫酸盐

英文名称：

Peroxymonosulfate

分子式：

O₅S

分子量：

112.061999320984

过氧单硫酸盐(22047-43-4)名称与标识符

名称

英文别名：

Peroxymonosulfate;oxido sulfate;CHEBI:29288;22047-43-4;sulfuroperoxoate;[SO3(OO)](2-);[SO5](2-);DTXSID70176524;trioxidoperoxidosulfate(2-);Q27110001;FHHJDRFHHWUPDG-UHFFFAOYSA-L;peroxysulfate(2-);peroxysulphate;

标识符

InChIKey：

FHHJDRFHHWUPDG-UHFFFAOYSA-L

Inchi：

1S/H2O5S/c1-5-6(2,3)4/h1H,(H,2,3,4)/p-2

SMILES：

S(=O)(=O)([O-])O[O-]

过氧单硫酸盐(22047-43-4)物化性质

实验特性

LogP : -0.11050
PSA : 97.87000
沸点 : °Cat760mmHg
闪点 : °C

计算特性

精确分子量 : 111.947
氢键供体数量 : 0
氢键受体数量 : 5
可旋转化学键数量 : 0
同位素质量 : 111.947
重原子数量 : 6
复杂度 : 87.1
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : -1.5
拓扑分子极性表面积 : 97.9Å²

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