CAS 162607-20-7|5-methylthiophen-2-ylboronic acid|5-Methylthiophene-2-boronic acid|(5-methylthiophen-2-yl)boronic acid|(5-methyl-2-thienyl)boronic acid|(5-Methylthiophen-2-yl)dihydroxyborane|(5-Meth...

基本信息

化学结构

分子式

C₅H₇BO₂S

分子量

141.98388

精确质量

142.02598086

电荷

InChI

InChI=1S/C5H7BO2S/c1-4-2-3-5(9-4)6(7)8/h2-3,7-8H,1H3

InChIKey

NRIYPIBRPGAWDD-UHFFFAOYSA-N

Canonic Smiles

OB(c1ccc(s1)C)O

Isomeric Smiles

c1(ccc(s1)C)B(O)O

计算属性

JChem

Acid pKa

8.117793

质子受体

质子供体

LogD (pH = 5.5)

1.8530599

LogD (pH = 7.4)

1.7783521

Log P

1.8541

摩尔折射率

31.9255

极化性

13.985137

极化表面积

40.46

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

IUPAC标准名

(5-methylthiophen-2-yl)boronic acid

IUPAC传统名

5-methylthiophen-2-ylboronic acid

别名

5-Methylthiophene-2-boronic acid(5-methyl-2-thienyl)boronic acid(5-Methylthiophen-2-yl)dihydroxyborane(5-Methylthien-2-yl)boronic acid5-Methyl-2-thienylboronic acid5-Methyl-2-thiopheneboronic acid2-Methylthiophene-5-boronic acid2-Methylthienyl-5-boronic acid5-甲基-2-噻吩硼酸5-甲基-2-噻吩基硼酸5-Methylthiophene-2-boronic acid5-甲基噻酚-2-硼酸

名称和标识

数据登录号

CAS号

MDL号

PubChem SID

PubChem CID

Beilstein号