AC1O1XK1 structure

AC1O1XK1

2-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]hexanoic acid

Also Known As: 2-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]hexanoic acid|F1691-1830|(Z)-2-(4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)thiazolidin-3-yl)hexanoic acid|2-{4-oxo-2-thioxo-5-[(3,4,5-trimethoxyphenyl)methylene]-1,3-thiazolidin-3-yl}h exanoic acid

CAS: 868147-80-2
Molecular Formula C19H23NO6S2
Molecular Weight 425.09668 g/mol
LogP 3.557
Topological Polar Surface Area 85.3 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
Rotatable Bonds 9
Exact Mass 425.09668
Monoisotopic Mass 425.09668
Heavy Atoms 28
Complexity 782.60876

Chemical Identifiers

CAS Number 868147-80-2
SMILES CCCCC(C(=O)O)N1C(=O)/C(=C/C2=CC(=C(C(=C2)OC)OC)OC)/SC1=S

Product Overview

AC1O1XK1 (CAS 868147-80-2), with molecular formula C19H23NO6S2 and molecular weight 425.09668 g/mol. IUPAC: 2-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]hexanoic acid.

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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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