BRN 5678966

2-ethoxy-6-nitro-9-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acridine

CAS: 87236-40-6

Molecular Formula	`C28H20N6O3S`
Molecular Weight	520.6 g/mol
LogP	5.9
Topological Polar Surface Area	137.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	520.1318
Heavy Atoms	38
Complexity	791.0

Chemical Identifiers

CAS Number	87236-40-6
SMILES	`CCOC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)SC4=NN=C(N4C5=CC=CC=C5)C6=CC=NC=C6`
InChIKey	`IHKURLXEBIGAQG-UHFFFAOYSA-N`

📖 Product Overview

BRN 5678966 (CAS: 87236-40-6) is a chemical compound with molecular formula C28H20N6O3S and molecular weight 520.6 g/mol. Its IUPAC systematic name is 2-ethoxy-6-nitro-9-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acridine. LogP 5.9 Topological Polar Surface Area 137.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 8 Rotatable Bonds 6 Exact Mass 520.1318 Heavy Atoms 38 Complexity 791.0 InChI Key: IHKURLXEBIGAQG-UHFFFAOYSA-N. SMILES: CCOC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)SC4=NN=C(N4C5=CC=CC=C5)C6=CC=NC=C6.

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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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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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