CAS 20949-84-2|2-methyl-1,3-thiazole-4-carbaldehyde|2-methyl-1,3-thiazole-4-carbaldehyde|4-Formyl-2-methylthiazole|2-methyl-1,3-thiazole-4-carbaldehyde|4-Formyl-2-methyl-1,3-thiazole|2-Methyl-1,3-th...

基本信息

化学结构

分子式

C₅H₅NOS

分子量

127.1643

精确质量

127.00918479

电荷

InChI

InChI=1S/C5H5NOS/c1-4-6-5(2-7)3-8-4/h2-3H,1H3

InChIKey

AEHWVNPVEUVPMT-UHFFFAOYSA-N

Canonic Smiles

Cc1nc(cs1)C=O

Isomeric Smiles

n1c(csc1C)C=O

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

1.1420919

LogD (pH = 7.4)

1.142148

Log P

1.1421487

摩尔折射率

31.9059

极化性

11.831121

极化表面积

29.96

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传统名

2-methyl-1,3-thiazole-4-carbaldehyde

别名

4-Formyl-2-methylthiazole2-methyl-1,3-thiazole-4-carbaldehyde4-Formyl-2-methyl-1,3-thiazole2-Methyl-1,3-thiazole-4-carboxaldehyde 97%2-甲基噻唑 4-甲醛2-Methylthiazole-4-carboxaldehyde4-甲酰基-2-甲基噻唑4-Formyl-2-methylthiazole2-Methylthiazole-4-carbaldehyde2-Methylthiazole 4-carbaldehyde

IUPAC标准名

2-methyl-1,3-thiazole-4-carbaldehyde

名称和标识

数据登录号

PubChem CID

MDL号

CAS号

PubChem SID