CAS 77470-53-2|2-Methyl-4-(chloromethyl)thiazole Hydrochloride|4-(chloromethyl)-2-methyl-1,3-thiazole hydrochloride|4-(Chloromethyl)-2-methyl-1,3-thiazole hydrochloride|4-(Chloromethyl)-2-methythiaz...

基本信息

化学结构

分子式

C₅H₇Cl₂NS

分子量

184.08678

精确质量

182.96762559

电荷

InChI

InChI=1S/C5H6ClNS.ClH/c1-4-7-5(2-6)3-8-4;/h3H,2H2,1H3;1H

InChIKey

YGKDISJLDVGNOR-UHFFFAOYSA-N

Canonic Smiles

Cc1nc(cs1)CCl.Cl

Isomeric Smiles

n1c(csc1C)CCl.Cl

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

1.4228355

LogD (pH = 7.4)

1.4238049

Log P

1.4238173

摩尔折射率

35.0518

极化性

13.589625

极化表面积

12.89

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

别名

4-(Chloromethyl)-2-methythiazole Hydrochloride4-(Chloromethyl)-2-methyl-1,3-thiazole hydrochloride2-Methyl-4-(chloromethyl)thiazole Hydrochloride4-Chloromethyl-2-methyl-1,3-thiazole, Hydrochloride4-(Chloromethyl)-2-methylthiazole hydrochloride4-氯甲基-2-甲基噻唑.盐酸盐4-Chloromethyl-2-methylthiazole hydrochloride

IUPAC标准名

4-(chloromethyl)-2-methyl-1,3-thiazole hydrochloride

IUPAC传统名

4-(chloromethyl)-2-methyl-1,3-thiazole hydrochloride

名称和标识

数据登录号

PubChem SID

162029838

PubChem CID

2734203

MDL号

MFCD00067725