AC1O0ESS structure

AC1O0ESS

2-(4-bromophenyl)sulfonyl-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-propoxyphenyl)guanidine

Also Known As: 2-(4-bromophenyl)sulfonyl-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-propoxyphenyl)guanidine|(E)-N''-(4-BROMOBENZENESULFONYL)-N'-(4,6-DIMETHYLPYRIMIDIN-2-YL)-N-(4-PROPOXYPHENYL)GUANIDINE|4-bromo-N-{(Z)-[(4,6-dimethylpyrimidin-2-yl)amino][(4-propoxyphenyl)amino]methylidene}benzenesulfonamide

CAS: 543696-75-9
Molecular Formula C22H24BrN5O3S
Molecular Weight 517.0783 g/mol
LogP 4.91364
Topological Polar Surface Area 105.57 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
Rotatable Bonds 7
Exact Mass 517.0783
Monoisotopic Mass 517.0783
Heavy Atoms 32
Complexity 1176.9908

Chemical Identifiers

CAS Number 543696-75-9
SMILES CCCOC1=CC=C(C=C1)N/C(=N\S(=O)(=O)C2=CC=C(C=C2)Br)/NC3=NC(=CC(=N3)C)C

Product Overview

AC1O0ESS (CAS 543696-75-9), with molecular formula C22H24BrN5O3S and molecular weight 517.0783 g/mol. IUPAC: 2-(4-bromophenyl)sulfonyl-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-propoxyphenyl)guanidine.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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