CAS 83846-85-9|{4-[(4-methylphenyl)thio]phenyl}(phenyl)methanone|{4-[(4-methylphenyl)sulfanyl]phenyl}(phenyl)methanone|{4-[(4-methylphenyl)sulfanyl]phenyl}(phenyl)methanone|4-(p-Tolylthio)benzopheno...

基本信息

化学结构

分子式

C₂₀H₁₆OS

分子量

304.40544

精确质量

304.09218613

电荷

InChI

InChI=1S/C20H16OS/c1-15-7-11-18(12-8-15)22-19-13-9-17(10-14-19)20(21)16-5-3-2-4-6-16/h2-14H,1H3

InChIKey

DBHQYYNDKZDVTN-UHFFFAOYSA-N

Canonic Smiles

Cc1ccc(cc1)Sc1ccc(cc1)C(=O)c1ccccc1

Isomeric Smiles

S(c1ccc(cc1)C(=O)c1ccccc1)c1ccc(cc1)C

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

6.13477

LogD (pH = 7.4)

6.13477

Log P

6.13477

摩尔折射率

94.3588

极化性

36.448757

极化表面积

17.07

可自由旋转的化学键

里宾斯基五规则

false

数据来源

学术数据

产品目录

数据来源

名称和标识

别名

{4-[(4-methylphenyl)thio]phenyl}(phenyl)methanoneQuantacure BMS4-(4-Tolylthio)benzophenone[4-[(4-Methylphenyl)thio]phenyl]phenylmethanone4-(p-Tolylthio)benzophenoneKayacure BMS4-(4-Methylphenylthio)benzophenone4-Benzoyl-4'-methyldiphenyl ThioetherSpeedcure BMSPhenyl (p-Tolylthio)phenyl Ketone4-Benzoyl-4'-methyldiphenyl Sulfide

IUPAC传统名

{4-[(4-methylphenyl)sulfanyl]phenyl}(phenyl)methanone

IUPAC标准名

{4-[(4-methylphenyl)sulfanyl]phenyl}(phenyl)methanone

名称和标识

数据登录号

PubChem CID

174341

PubChem SID

162072817

CAS号

83846-85-9