Heteronium

(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate

CAS: 21379-80-6

Molecular Formula	`C18H22NO3S+`
Molecular Weight	332.4 g/mol
LogP	2.6
Topological Polar Surface Area	74.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	332.13205
Heavy Atoms	23
Complexity	436.0

Chemical Identifiers

CAS Number	21379-80-6
SMILES	`C[N+]1(CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CS3)O)C`
InChIKey	`IGWCFPFGZULDHY-UHFFFAOYSA-N`

📖 Product Overview

Heteronium (CAS: 21379-80-6) is a chemical compound with molecular formula C18H22NO3S+ and molecular weight 332.4 g/mol. Its IUPAC systematic name is (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate. LogP 2.6 Topological Polar Surface Area 74.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 5 Exact Mass 332.13205 Heavy Atoms 23 Complexity 436.0 InChI Key: IGWCFPFGZULDHY-UHFFFAOYSA-N. SMILES: C[N+]1(CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CS3)O)C.

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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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