AC1NRFJE structure

AC1NRFJE

1-butyl-4-methyl-6-morpholin-4-yl-2-oxo-5-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile

Also Known As: 1-Butyl-4-methyl-6-(morpholin-4-yl)-2-oxo-5-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,2-dihydropyridine-3-carbonitrile|1-butyl-4-methyl-6-morpholin-4-yl-2-oxo-5-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile

CAS: 7064-63-3
Molecular Formula C22H26N4O3S2
Molecular Weight 458.14462 g/mol
LogP 3.0523
Topological Polar Surface Area 78.57 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
Rotatable Bonds 7
Exact Mass 458.14462
Monoisotopic Mass 458.14462
Heavy Atoms 31
Complexity 1032.6624

Chemical Identifiers

CAS Number 7064-63-3
SMILES CCCCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)CC=C)N3CCOCC3

Product Overview

AC1NRFJE (CAS 7064-63-3), with molecular formula C22H26N4O3S2 and molecular weight 458.14462 g/mol. IUPAC: 1-butyl-4-methyl-6-morpholin-4-yl-2-oxo-5-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile.

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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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