CAS 23421-57-0 4-(Chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole (HCID 2517656)

Substructure search Find similar structures

Basic information

CAS: 23421-57-0
Standard SMILES: COc1ccc(-c2nc(CCl)cs2)cc1
InChIKey: QUGNZVWIWYZXEC-UHFFFAOYSA-N
Molecular formula: C11H10ClNOS
Average molar mass: 239.72 g/mol

Names & identifiers

Preferred name: 4-(Chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole
IUPAC: 4-(chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole

Names & synonyms

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

Show more names

AKOS000122889AB23766DB-106144EN300-34287G59159

Database identifiers

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

Properties

Computed structural propertiesFilling in

XLogP: 3
Topological polar surface area: 50.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 197

Safety & regulation

GHS classification

GHS Classification · 4 items

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.