5-(4-Chlorophenyl)-1,2-thiazole

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Basic information

CAS: 49602-89-3
Standard SMILES: Clc1ccc(-c2ccns2)cc1
InChIKey: DEIXAXKIKOHRED-UHFFFAOYSA-N
Molecular formula: C9H6ClNS
Average molar mass: 195.67 g/mol
Monoisotopic mass: 194.9909481

Names & identifiers

Preferred name: 5-(4-Chlorophenyl)-1,2-thiazole
IUPAC: 5-(4-chlorophenyl)-1,2-thiazole
English name: 5-(4-Chlorophenyl) isothiazole
Molecular formula: C9H6ClNS
Molecular weight: 195.67

Names & synonyms

49602-89-35-(4-CHLOROPHENYL) ISOTHIAZOLE5-(4-chlorophenyl)-1,2-thiazoleSCHEMBL17625968DTXSID50415847AKOS006284161InChI=1/C9H6ClNS/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6DB-071016

Database identifiers

CAS: 49602-89-3
PubChem CID: 5323910
DTXSID: DTXSID50415847

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 41.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 145

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