AC1LYMSH structure

AC1LYMSH

3-[(5E)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-phenylpropanamide

Also Known As: BAS 02056966|3-[(5E)-4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-3-yl]-N-phenylpropanamide|(E)-3-(4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)thiazolidin-3-yl)-N-phenylpropanamide|3-[(5E)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-phenylpropanamide|3-{4-oxo-2-thioxo-5-[(3,4,5-trimethoxyphenyl)methylene](1,3-thiazolidin-3-yl)} -N-phenylpropanamide

CAS: 314751-60-5
Molecular Formula C22H22N2O5S2
Molecular Weight 458.09702 g/mol
LogP 3.9424
Topological Polar Surface Area 77.1 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
Rotatable Bonds 8
Exact Mass 458.09702
Monoisotopic Mass 458.09702
Heavy Atoms 31
Complexity 998.8114

Chemical Identifiers

CAS Number 314751-60-5
SMILES COC1=CC(=CC(=C1OC)OC)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)NC3=CC=CC=C3

Product Overview

AC1LYMSH (CAS 314751-60-5), with molecular formula C22H22N2O5S2 and molecular weight 458.09702 g/mol. IUPAC: 3-[(5E)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-phenylpropanamide.

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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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