3-(Ethoxycarbonylmethylthio)benzanthrone

ethyl 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate

CAS: 69658-14-6

Molecular Formula	`C21H16O3S`
Molecular Weight	348.4 g/mol
LogP	5.1
Topological Polar Surface Area	68.7 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	348.082
Heavy Atoms	25
Complexity	519.0

Chemical Identifiers

CAS Number	69658-14-6
SMILES	`CCOC(=O)CSC1=C2C=CC=C3C2=C(C=C1)C4=CC=CC=C4C3=O`
InChIKey	`MIFRQFLBTQFDII-UHFFFAOYSA-N`

📖 Product Overview

3-(Ethoxycarbonylmethylthio)benzanthrone (CAS: 69658-14-6) is a chemical compound with molecular formula C21H16O3S and molecular weight 348.4 g/mol. Its IUPAC systematic name is ethyl 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate. LogP 5.1 Topological Polar Surface Area 68.7 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 5 Exact Mass 348.082 Heavy Atoms 25 Complexity 519.0 InChI Key: MIFRQFLBTQFDII-UHFFFAOYSA-N. SMILES: CCOC(=O)CSC1=C2C=CC=C3C2=C(C=C1)C4=CC=CC=C4C3=O.

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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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