CAS 34451-26-8|3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-thiol|1H,1H,2H,2H-Perfluorooctanethiol 97+%|3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-thiol|1H,1H,2H,2H-Perfluorooctyl mercaptan|...

基本信息

化学结构

分子式

C₈H₅F₁₃S

分子量

380.1695416

精确质量

379.99043802

电荷

InChI

InChI=1S/C8H5F13S/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h22H,1-2H2

InChIKey

GTPHVVCYEWPQFE-UHFFFAOYSA-N

Canonic Smiles

SCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Isomeric Smiles

SCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

计算属性

JChem

Acid pKa

10.145332

质子受体

质子供体

LogD (pH = 5.5)

5.461396

LogD (pH = 7.4)

5.4606814

Log P

5.4614053

摩尔折射率

47.5318

极化性

18.167595

极化表面积

0.0

可自由旋转的化学键

里宾斯基五规则

false

数据来源

产品目录

学术数据

数据来源

名称和标识

IUPAC传统名

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-thiol

别名

1H,1H,2H,2H-Perfluorooctanethiol 97+%1H,1H,2H,2H-Perfluorooctyl mercaptan1H,1H,2H,2H-全氟辛基硫醇3,3,4,4,5,5,6,6,7,7,8,8,8-十三氟-1-辛硫醇1H,1H,2H,2H-全氟-1-辛硫醇3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanethiol1H,1H,2H,2H-Perfluoro-1-octanethiol

IUPAC标准名

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-thiol

名称和标识

数据登录号

MDL号

PubChem SID

CAS号

PubChem CID