CAS 92972-48-0|2,4-Dichloro-thiazole-5-carbaldehyde|2,4-dichloro-1,3-thiazole-5-carbaldehyde|2,4-dichloro-1,3-thiazole-5-carbaldehyde|2,4-Dichloro-5-formylthiazole|2,4-Dichloro-1,3-thiazole-5-carbox...

基本信息

化学结构

分子式

C₄HCl₂NOS

分子量

182.02784

精确质量

180.91559002

电荷

InChI

InChI=1S/C4HCl2NOS/c5-3-2(1-8)9-4(6)7-3/h1H

InChIKey

CFEKBKCGPASOFI-UHFFFAOYSA-N

Canonic Smiles

O=Cc1sc(nc1Cl)Cl

Isomeric Smiles

n1c(c(sc1Cl)C=O)Cl

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

2.2152166

LogD (pH = 7.4)

2.2152166

Log P

2.2152166

摩尔折射率

38.5265

极化性

14.245218

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

2,4-dichloro-1,3-thiazole-5-carbaldehyde

别名

2,4-Dichloro-thiazole-5-carbaldehyde2,4-Dichloro-5-formylthiazole2,4-Dichloro-5-formyl-1,3-thiazole2,4-Dichloro-1,3-thiazole-5-carboxaldehyde2,4-二氯噻唑-5-甲醛2,4-Dichloro-5-thiazolecarboxaldehyde2,4-Dichlorothiazole-5-carboxaldehyde2,4-Dichlorothiazole-5-carboxaldehyde2,4-Dichloro-5-thiazolecarboxaldehyde2,4-dichloro-1,3-thiazole-5-carbaldehyde

IUPAC标准名

2,4-dichloro-1,3-thiazole-5-carbaldehyde

名称和标识

数据登录号

MDL号

CAS号

PubChem SID

PubChem CID