CAS 1073-72-9|4-(methylthio)-phenol|4-(Methylmercapto)phenol|4-(methylsulfanyl)phenol|4-(Methylmercapto)phenol|4-(Methylsulphanyl)phenol|4-Hydroxythioanisole|4-(Methylthio)phenol|对羟基茴香硫醚|4-(M...

基本信息

化学结构

分子式

C₇H₈OS

分子量

140.20282

精确质量

140.02958588

电荷

InChI

InChI=1S/C7H8OS/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3

InChIKey

QASBCTGZKABPKX-UHFFFAOYSA-N

Canonic Smiles

CSc1ccc(cc1)O

Isomeric Smiles

S(C)c1ccc(cc1)O

计算属性

JChem

LogD (pH = 7.4)

2.29

LogD (pH = 5.5)

2.30

Log P

2.30

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

9.42

极化表面积

20.23

极化性

14.88

摩尔折射率

40.80

LOG S

-1.73

数据来源

名称和标识

IUPAC传统名

4-(methylthio)-phenol

IUPAC标准名

4-(methylsulfanyl)phenol

别名

4-(Methylmercapto)phenol4-Hydroxythioanisole4-(Methylthio)phenol4-(Methylmercapto)phenol4-(Methylsulphanyl)phenol对羟基茴香硫醚4-(Methylmercapto)phenol4-(甲硫基)苯酚4-甲硫基苯酚4-(Methylthio)phenol4-(Methylthio)phenol4-Methylmercaptophenol4-Hydroxyphenyl methyl sulfidep-Hydroxyphenyl methyl sulfide4-(methylsulfanyl)phenolp-Hydroxythioanisolep-(Methylthio)phenol

名称和标识

数据登录号

PubChem CID

14086

PubChem SID

1609719452487911326675984

EC号

214-031-4

MDL号

MFCD00002351

CAS号

1073-72-9