AC1MG5BK structure

AC1MG5BK

methyl 5-benzyl-2-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate

Also Known As: Methyl 5-benzyl-2-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate|methyl 5-benzyl-2-(4-(pyridin-2-yl)piperazine-1-carbothioamido)thiophene-3-carboxylate|methyl 5-benzyl-2-{[(4-(2-pyridyl)piperazinyl)thioxomethyl]amino}thiophene-3-c arboxylate|methyl 5-benzyl-2-({[4-(pyridin-2-yl)piperazin-1-yl]carbonothioyl}amino)thiophene-3-carboxylate

CAS: 701966-34-9
Molecular Formula C23H24N4O2S2
Molecular Weight 452.13406 g/mol
LogP 4.0395
Topological Polar Surface Area 57.7 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 5
Exact Mass 452.13406
Monoisotopic Mass 452.13406
Heavy Atoms 31
Complexity 1032.2448

Chemical Identifiers

CAS Number 701966-34-9
SMILES COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCN(CC3)C4=CC=CC=N4

Product Overview

AC1MG5BK (CAS 701966-34-9), with molecular formula C23H24N4O2S2 and molecular weight 452.13406 g/mol. IUPAC: methyl 5-benzyl-2-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-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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