Acesulfame

Synonyms: Acesulfame, "Acetosulfam", "Acesulfamum", "Acesulfamo", "6-Methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide", "6-Methyl-3,4-dihydro-1,2,3-oxathiazin-4-one 2,2-dioxide", "Acesulfame potassium", "CHEBI:83501", "6-methyl-2,2-dioxooxathiazin-4-one", "6-Methyl-1,2,3-oxathiazin-4(3H)-on 2,2-dioxid", "1,2,3-Oxathiazin-4(3H)-one, 6-methyl-, 2,2-dioxide", "3,4-Dihydro-6-methyl-1,2,3-oxathiazin-4-one 2,2-dioxide", "3,4-Dihydro-6-methyl-1,2,3-oxathiazin-4-one-2,2-dioxide".

Source: Acesulfame is an artificial sweetener with high production volume.

Identifiers:

IUPAC Name: 6-methyl-2,2-dioxooxathiazin-4-one
CAS Number: 33665-90-6
PubChem ID: 36573
InChiKey: YGCFIWIQZPHFLU-UHFFFAOYSA-N
Canonical SMILES: CC1=CC(=O)NS(=O)(=O)O1

Structural Properties:

Molecular Formula: C₄H₅NO₄S
Molecular Weight: 163.15

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 4
Number of atoms different from hydrogen: 10

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Evidence Supporting This Chemical as an Emerging Contaminant

Hermes, N., Jewell, K., Wick, A., & Ternes, T. (2018). Quantification of more than 150 micropollutants including transformation products in aqueous samples by liquid chromatography-tandem mass spectrometry using scheduled multiple reaction monitoring. Journal of Chromatography A, 1531, 64?73.

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