(9,9-Dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl) 2-hydroxy-2,2-dithiophen-2-ylacetatebromide

(9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl) 2-hydroxy-2,2-dithiophen-2-ylacetate bromide

CAS: 1352567-52-2

Molecular Formula	`C19H22BrNO4S2`
Molecular Weight	472.4 g/mol
Topological Polar Surface Area	116.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	471.01736
Heavy Atoms	27
Complexity	564.0

Chemical Identifiers

CAS Number	1352567-52-2
SMILES	`C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C.[Br-]`
InChIKey	`DQHNAVOVODVIMG-UHFFFAOYSA-M`

📖 Product Overview

(9,9-Dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl) 2-hydroxy-2,2-dithiophen-2-ylacetatebromide (CAS: 1352567-52-2) is a chemical compound with molecular formula C19H22BrNO4S2 and molecular weight 472.4 g/mol. Its IUPAC systematic name is (9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl) 2-hydroxy-2,2-dithiophen-2-ylacetate bromide. Topological Polar Surface Area 116.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 7 Rotatable Bonds 5 Exact Mass 471.01736 Heavy Atoms 27 Complexity 564.0 InChI Key: DQHNAVOVODVIMG-UHFFFAOYSA-M. SMILES: C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C.[Br-].

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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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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for (9,9-Dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl) 2-hydroxy-2,2-dithiophen-2-ylacetatebromide.

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