CAS 13031-76-0|3-Hydroxysulpholane|3-hydroxy-1$l^{6}-thiolane-1,1-dione|3-Hydroxytetrahydro-1H-1lambda~6~-thiophene-1,1-dione|3-hydroxy-1$l^{6}-thiolane-1,1-dione|3-hydroxy-1λ<sup>6</sup>-thiolane-...

基本信息

化学结构

分子式

C₄H₈O₃S

分子量

136.16952

精确质量

136.01941512

电荷

InChI

InChI=1S/C4H8O3S/c5-4-1-2-8(6,7)3-4/h4-5H,1-3H2

InChIKey

AMXKVIWWXBYXRS-UHFFFAOYSA-N

Canonic Smiles

OC1CCS(=O)(=O)C1

Isomeric Smiles

S1(=O)(=O)CC(O)CC1

计算属性

JChem

Acid pKa

14.325458

质子受体

质子供体

LogD (pH = 5.5)

-1.7384934

LogD (pH = 7.4)

-1.7384936

Log P

-1.7384934

摩尔折射率

28.8123

极化性

12.284272

极化表面积

54.37

可自由旋转的化学键

里宾斯基五规则

true

数据来源

产品目录

学术数据

数据来源

名称和标识

别名

3-Hydroxysulpholane3-Hydroxytetrahydro-1H-1lambda~6~-thiophene-1,1-dionetetrahydro-3-thiopheneol 1,1-dioxide3-hydroxytetrahydro-1H-1lambda~6~-thiophene-1,1-dione3-hydroxytetrahydrothiophene 1,1-dioxideTetrahydrothiophene-3-ol 1,1-dioxideNSC 147314Tetrahydrothiophene-3-ol 1,1-DioxideSulfolan-3-ol 3-Hydroxythiolane 1,1-Dioxide3-Hydroxysulfolane3-hydroxy-1$l^{6}-thiolane-1,1-dione

IUPAC传统名

3-hydroxy-1$l^{6}-thiolane-1,1-dione 3-hydroxy-1λ⁶-thiolane-1,1-dione

IUPAC标准名

3-hydroxy-1$l^{6}-thiolane-1,1-dione 3-hydroxy-1λ⁶-thiolane-1,1-dione

名称和标识

数据登录号

CAS号

13031-76-0

PubChem SID

162072454

PubChem CID

98932