AC1LUB7K structure

AC1LUB7K

2-nitro-N-[(5Z)-4-oxo-5-[(4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide

Also Known As: (Z)-N-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide|2-nitro-N-[(5Z)-4-oxo-5-[(4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide|2-nitro-N-{(5Z)-4-oxo-5-[4-(prop-2-en-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}benzamide

CAS: 641998-35-8
Molecular Formula C20H15N3O5S2
Molecular Weight 441.04532 g/mol
LogP 3.7058
Topological Polar Surface Area 101.78 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
Rotatable Bonds 7
Exact Mass 441.04532
Monoisotopic Mass 441.04532
Heavy Atoms 30
Complexity 1066.3666

Chemical Identifiers

CAS Number 641998-35-8
SMILES C=CCOC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Product Overview

AC1LUB7K (CAS 641998-35-8), with molecular formula C20H15N3O5S2 and molecular weight 441.04532 g/mol. IUPAC: 2-nitro-N-[(5Z)-4-oxo-5-[(4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide.

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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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