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Molecule
Sodium 2-Hydroxyethyl Sulfonate
CAS: 1562-00-1 · C2H6NaO4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1562-00-1
- Molecular Formula
- C2H6NaO4S
- Molecular Mass
- 149.12 g/mol
Identifiers
CAS Registry Number
1562-00-1
SMILES
O=S(=O)(O)CCO.[Na]
InChI Key
GTDMIKVRZPGMFX-UHFFFAOYSA-N
InChI
InChI=1S/C2H6O4S.Na/c3-1-2-7(4,5)6;/h3H,1-2H2,(H,4,5,6);
Names and Synonyms
- Sodium 2-Hydroxyethyl Sulfonate Synonym
- Ethanesulfonic acid, 2-hydroxy-, sodium salt (1:1) Synonym
- Ethanesulfonic acid, 2-hydroxy-, monosodium salt Synonym
- Isethionic acid sodium salt Synonym
- Ethanesulfonic acid, 2-hydroxy-, sodium salt Synonym
- Sodium isethionate Synonym
- Sodium 2-hydroxyethanesulfonate Synonym
- Sodium 2-hydroxyethylsulfonate Synonym
- Sodium β-hydroxyethanesulfonate Synonym
- 2-Hydroxyethanesulfonic acid sodium salt Synonym
- Sodium hydroxyethylsulfonate Synonym
- Sodium 2-hydroxy-1-ethanesulfonate Synonym
- Sodium 1-hydroxy-2-ethanesulfonate Synonym
- Adeka Tec HES Synonym
- Sodium hydroxyethanesulfonate Synonym
- Hostapon SI Synonym
- Isethionic acid sodium Synonym
- MW 148 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 149.12 g/mol | CAS Common Chemistry |
| 149.123 g/mol | RDKit | |
| 150.124 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_2-hydroxyethyl_sulfonate | CAS Common Chemistry |
| Canonical SMILES | [Na].O=S(=O)(O)CCO | CAS Common Chemistry |
| InChI | InChI=1S/C2H6O4S.Na/c3-1-2-7(4,5)6;/h3H,1-2H2,(H,4,5,6); | CAS Common Chemistry |
| InChI Key | InChIKey=GTDMIKVRZPGMFX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 192-194 °C | CAS Common Chemistry |
| Name | Sodium isethionate | CAS Common Chemistry |
| Sodium 2-hydroxyethyl sulfonate | CAS Common Chemistry | |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 74.60000000000001 Ų | RDKit |
| 74.6 Ų | RDKit | |
| LogP | -1.5143 | RDKit |
| Molar Refractivity | 29.25539999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 148.988448952 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 149.12 g/mol. Edit any field — others recompute live.
