CAS 80-09-1|Bis(4-hydroxyphenyl) sulphone|4,4'-Dihydroxydiphenyl sulphone|4-(4-hydroxybenzenesulfonyl)phenol|4-(4-hydroxybenzenesulfonyl)phenol|4,4'-Sulphonyldiphenol|bis(4-hydroxyphenyl)sulfone|4,4...

基本信息

化学结构

分子式

C₁₂H₁₀O₄S

分子量

250.2704

精确质量

250.0299798

电荷

InChI

InChI=1S/C12H10O4S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,13-14H

InChIKey

VPWNQTHUCYMVMZ-UHFFFAOYSA-N

Canonic Smiles

Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O

Isomeric Smiles

S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O

计算属性

JChem

LogD (pH = 7.4)

1.98

LogD (pH = 5.5)

2.32

Log P

2.32

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

Acid pKa

7.42

极化表面积

74.60

极化性

24.08

摩尔折射率

63.55

LOG S

-2.44

数据来源

名称和标识

别名

Bis(4-hydroxyphenyl) sulphone4,4'-Dihydroxydiphenyl sulphone4,4'-Sulphonyldiphenolbis(4-hydroxyphenyl)sulfone4,4'-DIHYDROXYDIPHENYL SULFONE TECHNICAL GRADEBPS4,4'-sulfonylbisphenolBisphenol S双(4-羟基苯基)砜Bisphenol S4,4′-磺酰基二苯酚4-Hydroxyphenyl sulfone4,4'-Dihydroxydiphenyl sulfone双(4-羟基苯基)砜4,4'-SulfonyldiphenolBis(4-hydroxyphenyl) sulfoneBis(4-hydroxyphenyl) sulfone双酚 S4-羟基苯基砜4,4′-SulfonyldiphenolBisphenol S4,4'-sulfonyldiphenolDHDPhSBis(4-hydroxyphenyl) sulfoneBis(p-hydroxyphenyl) sulfone4,4'-Dihydroxydiphenyl sulfone1,1'-Sulfonylbis(4-hydroxybenzene)

IUPAC传统名

4-(4-hydroxybenzenesulfonyl)phenol bisphenol S

IUPAC标准名

4-(4-hydroxybenzenesulfonyl)phenol

名称和标识

数据登录号

CAS号

80-09-1

维基百科标题

Bisphenol_S

CHEMBL

384441CHEMBL384441