AC1OATM3 structure

AC1OATM3

2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide

Also Known As: (E)-N'-(2-nitrobenzylidene)-2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetohydrazide|2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide

CAS: 497166-58-2
Molecular Formula C26H23N5O4S2
Molecular Weight 533.11914 g/mol
LogP 4.78502
Topological Polar Surface Area 119.49 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 8
Rotatable Bonds 7
Exact Mass 533.11914
Monoisotopic Mass 533.11914
Heavy Atoms 37
Complexity 1591.3027

Chemical Identifiers

CAS Number 497166-58-2
SMILES CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)N/N=C/C4=CC=CC=C4[N+](=O)[O-])SC5=C3CCCC5

Product Overview

AC1OATM3 (CAS 497166-58-2), with molecular formula C26H23N5O4S2 and molecular weight 533.11914 g/mol. IUPAC: 2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide.

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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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