AC1NNX8T structure

AC1NNX8T

N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-phenylquinoline-4-carboxamide

Also Known As: Oprea1_851745|AK-968/41169462|N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-phenylquinoline-4-carboxamide|N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-N'-[(2-phenyl-4-quinolinyl)carbonyl]thiourea|N-(3-CYANO-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-N'-[(2-PHENYL-4-QUINOLYL)CARBONYL]THIOUREA

CAS: 438211-63-3
Molecular Formula C27H22N4OS2
Molecular Weight 482.1235 g/mol
LogP 6.08658
Topological Polar Surface Area 77.81 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
Rotatable Bonds 3
Exact Mass 482.1235
Monoisotopic Mass 482.1235
Heavy Atoms 34
Complexity 1453.0143

Chemical Identifiers

CAS Number 438211-63-3
SMILES CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Product Overview

AC1NNX8T (CAS 438211-63-3), with molecular formula C27H22N4OS2 and molecular weight 482.1235 g/mol. IUPAC: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-phenylquinoline-4-carboxamide.

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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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