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Sodium Saccharin
CAS: 128-44-9 | C7H5NNaO3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
128-44-9
Molecular Formula:
C7H5NNaO3S
Molecular Mass:
206.18 g/mol
Names and Synonyms:
Sodium Saccharin
1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt (1:1)
1,2-Benzisothiazolin-3-one, 1,1-dioxide, sodium salt
1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt
1,2-Benzisothiazolin-3-one, 1,1-dioxide, sodium deriv.
Saccharin, sodium deriv.
Cristallose
Crystallose
Kristallose
Saccharin sodium
Saccharin soluble
Saxin
Sodium o-benzosulfimide
Sodium saccharin
Sodium saccharine
Soluble saccharin
Sweeta
Sykose
Willosetten
Sodium saccharinate
1,2-Benzothiazol-3(2H)-one 1,1-dioxide sodium salt
Sodium saccharide
Saccharin sodium salt
o-Benzoylsulfimide sodium salt
Sodium o-sulfobenzimide
Sucram C 150
Sodium 1,1,3-trioxo-2,3-dihydro-1λ6,2-benzothiazol-2-ide
Identifiers:
SMILES:
O=S1(=O)N=C(O)c2ccccc21.[Na]
InChI:
InChI=1S/C7H5NO3S.Na/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h1-4H,(H,8,9);
Key Properties
Melting Point
120 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 206.18 g/mol | CAS Common Chemistry |
| 206.17800000000003 g/mol | RDKit | |
| 205.9887833 g/mol | RDKit | |
| Canonical SMILES | [Na].O=C1NS(=O)(=O)C=2C=CC=CC12 | CAS Common Chemistry |
| InChI | InChI=1S/C7H5NO3S.Na/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h1-4H,(H,8,9); | CAS Common Chemistry |
| InChI Key | InChIKey=IDIPRSBHIGCTDN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 120 °C | CAS Common Chemistry |
| Name | Sodium saccharin | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 66.73 Ų | RDKit |
| LogP | 0.31270000000000026 | RDKit |
| Molar Refractivity | 48.54760000000001 | RDKit |
