CAS 637-89-8|4-Hydroxythiophenol|4-sulfanylphenol|4-sulfanylphenol|4-巯基苯酚|4-Mercaptophenol|4-Hydroxyphenyl mercaptan|4-Hydroxythiophenol|4-羟基苯硫酚|4-Mercaptophenol|4-Hydroxythiophenol 98%|4-H...

基本信息

化学结构

分子式

C₆H₆OS

分子量

126.17624

精确质量

126.01393581

电荷

InChI

InChI=1S/C6H6OS/c7-5-1-3-6(8)4-2-5/h1-4,7-8H

InChIKey

BXAVKNRWVKUTLY-UHFFFAOYSA-N

Canonic Smiles

Oc1ccc(cc1)S

Isomeric Smiles

c1c(ccc(c1)O)S

计算属性

JChem

Acid pKa

6.0953374

质子受体

质子供体

LogD (pH = 5.5)

1.6687362

LogD (pH = 7.4)

0.6815985

Log P

1.7628877

摩尔折射率

36.0487

极化性

13.970119

极化表面积

20.23

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

别名

4-Hydroxythiophenol4-巯基苯酚4-Mercaptophenol4-Hydroxyphenyl mercaptan4-Hydroxythiophenol4-羟基苯硫酚4-Mercaptophenol4-Hydroxythiophenol 98%4-Hydroxybenzenethiol4-Sulphanylphenol4-sulfanylphenol4-HydroxythiophenolMonothiohydroquinone对羟基苯硫酚

IUPAC传统名

4-sulfanylphenol

IUPAC标准名

4-sulfanylphenol

名称和标识

数据登录号

CAS号

637-89-8

MDL号

MFCD00004850

EC号

211-307-6