AC1NRB5L structure

AC1NRB5L

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

Also Known As: 6-(3,5-dimethylpiperidin-1-yl)-1,4-dimethyl-2-oxo-5-[[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile|6-(3,5-Dimethylpiperidin-1-yl)-1,4-dimethyl-2-oxo-5-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-1,2-dihydropyridine-3-carbonitrile

CAS: 7063-33-4
Molecular Formula C24H30N4O3S2
Molecular Weight 486.17593 g/mol
LogP 3.4279
Topological Polar Surface Area 78.57 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
Rotatable Bonds 4
Exact Mass 486.17593
Monoisotopic Mass 486.17593
Heavy Atoms 33
Complexity 1104.1768

Chemical Identifiers

CAS Number 7063-33-4
SMILES CC1CC(CN(C1)C2=C(C(=C(C(=O)N2C)C#N)C)C=C3C(=O)N(C(=S)S3)CC4CCCO4)C

Product Overview

AC1NRB5L (CAS 7063-33-4), with molecular formula C24H30N4O3S2 and molecular weight 486.17593 g/mol. IUPAC: 6-(3,5-dimethylpiperidin-1-yl)-1,4-dimethyl-2-oxo-5-[[4-oxo-3-(oxolan-2-ylmethyl)-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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