AC1N9TQT structure

AC1N9TQT

ethyl 6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate

Also Known As: Oprea1_179631|ethyl 6-((4-chlorobenzyl)thio)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate|ethyl 6-[(4-chlorobenzyl)sulfanyl]-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate|ethyl 6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate

CAS: 369604-87-5
Molecular Formula C21H19ClN2O2S2
Molecular Weight 430.05765 g/mol
LogP 5.59398
Topological Polar Surface Area 62.12 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 6
Exact Mass 430.05765
Monoisotopic Mass 430.05765
Heavy Atoms 28
Complexity 957.2919

Chemical Identifiers

CAS Number 369604-87-5
SMILES CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C#N)SCC3=CC=C(C=C3)Cl)C

Product Overview

AC1N9TQT (CAS 369604-87-5), with molecular formula C21H19ClN2O2S2 and molecular weight 430.05765 g/mol. IUPAC: ethyl 6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate.

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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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