AC1NREEL structure

AC1NREEL

4-methyl-6-(3-methylpiperidin-1-yl)-2-oxo-5-[[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1-propylpyridine-3-carbonitrile

Also Known As: 4-Methyl-6-(3-methylpiperidin-1-yl)-2-oxo-5-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-1-propyl-1,2-dihydropyridine-3-carbonitrile|4-methyl-6-(3-methylpiperidin-1-yl)-2-oxo-5-[[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1-propylpyridine-3-carbonitrile

CAS: 7064-30-4
Molecular Formula C25H32N4O3S2
Molecular Weight 500.1916 g/mol
LogP 4.0549
Topological Polar Surface Area 78.57 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
Rotatable Bonds 6
Exact Mass 500.1916
Monoisotopic Mass 500.1916
Heavy Atoms 34
Complexity 1114.6282

Chemical Identifiers

CAS Number 7064-30-4
SMILES CCCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)CC3CCCO3)N4CCCC(C4)C

Product Overview

AC1NREEL (CAS 7064-30-4), with molecular formula C25H32N4O3S2 and molecular weight 500.1916 g/mol. IUPAC: 4-methyl-6-(3-methylpiperidin-1-yl)-2-oxo-5-[[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1-propylpyridine-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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