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Molecule
Acesulfame Potassium
CAS: 55589-62-3 · C4H5KNO4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 55589-62-3
- Molecular Formula
- C4H5KNO4S
- Molecular Mass
- 202.25 g/mol
Identifiers
CAS Registry Number
55589-62-3
SMILES
CC1=CC(O)=NS(=O)(=O)O1.[K]
InChI Key
AHRFRRASJMTTQU-UHFFFAOYSA-N
InChI
InChI=1S/C4H5NO4S.K/c1-3-2-4(6)5-10(7,8)9-3;/h2H,1H3,(H,5,6);
Names and Synonyms
- Acesulfame Potassium Common Name
- 1,2,3-Oxathiazin-4(3H)-one, 6-methyl-, 2,2-dioxide, potassium salt (1:1) Synonym
- 1,2,3-Oxathiazin-4(3H)-one, 6-methyl-, 2,2-dioxide, potassium salt Synonym
- Acesulfame K Synonym
- Sunett Synonym
- Acesulfame potassium Synonym
- 6-Methyl-3,4-dihydro-1,2,3-oxathiazin-4-one 2,2-dioxide potassium salt Synonym
- Potassium acesulfame Synonym
- Sunnett Synonym
- Otizon Synonym
- E 950 Synonym
- Sweet One Synonym
- Potassium acesulfamate Synonym
- Sunett D Synonym
- Potassium 3,4-dihydro-6-methyl-1,2,3-oxathiazine-4-one-2,2-dioxide Synonym
- Sunnet Pharma Grade D Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 202.25 g/mol | CAS Common Chemistry |
| 202.252 g/mol | RDKit | |
| 203.253 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Acesulfame_potassium | CAS Common Chemistry |
| Canonical SMILES | [K].O=C1C=C(OS(=O)(=O)N1)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H5NO4S.K/c1-3-2-4(6)5-10(7,8)9-3;/h2H,1H3,(H,5,6); | CAS Common Chemistry |
| InChI Key | InChIKey=AHRFRRASJMTTQU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 68 °C | CAS Common Chemistry |
| Name | Acesulfame potassium | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 75.96000000000001 Ų | RDKit |
| 75.96 Ų | RDKit | |
| LogP | -0.25909999999999994 | RDKit |
| -0.2591 | RDKit | |
| Molar Refractivity | 39.579600000000006 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 201.95763532 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 202.25 g/mol. Edit any field — others recompute live.
