4-(Chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole

HCID 2517656CAS 23421-57-0

基本情報

標準SMILES: COc1ccc(-c2nc(CCl)cs2)cc1
InChIKey: QUGNZVWIWYZXEC-UHFFFAOYSA-N
分子式: C11H10ClNOS
平均分子量: 239.72 g/mol

名称と識別子

優先名称: 4-(Chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole
IUPAC: 4-(chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole

名称と別名

4-(chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazoleRefChem:515560996-355-223421-57-0Thiazole, 4-(chloromethyl)-2-(4-methoxyphenyl)-4-CHLOROMETHYL-2-(4-METHOXY-PHENYL)-THIAZOLE4-(Chloromethyl)-2-(4-methoxyphenyl)thiazole hydrochloride4-Chloromethyl-2-(4-methoxyphenyl)thiazole4-(chloromethyl)-2-(4-methoxyphenyl)thiazoleSCHEMBL3370261CHEMBL1618752QUGNZVWIWYZXEC-UHFFFAOYSA-N

名称をさらに表示

AKOS000122889AB23766DB-106144EN300-34287G59159

データベース識別子

CAS: 23421-57-0
PubChem CID: 2517656
ChEMBL: CHEMBL1618752
EC Number: 996-355-2

物性

構造計算による物性

XLogP: 3
極性表面積: 50.4 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 15
形式電荷: 0
複雑度: 197

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.