Showing Metabocard for 2-hydroxyethane-1-sulfonate (BASm0004181)
| Common Name | 2-hydroxyethane-1-sulfonate |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C2H5O4S |
| Average Mass | 125.12000 |
| Monoisotopic Mass | 124.99140 |
| IUPAC Name | 2-hydroxyethane-1-sulfonic acid |
| Traditional Name | Isethionic acid |
| CAS Registry Number | Not Available |
| SMILES | O=S(=O)([O-])CCO |
| InChI Identifier | InChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6)/p-1 |
| InChI Key | SUMDYPCJJOFFON-UHFFFAOYSA-M |
| CHEBI ID | CHEBI:61904 |
| MiMeDB ID | MMDBc0032175 |
| State | Expected Solid |
| Water Solubility | 1.03e+02 g/l |
| logP | -2.17 |
| logS | -0.09 |
| pKa (Strongest Acidic) | -1.44 |
| pKa (Strongest Basic) | -2.88 |
| Hydrogen Acceptor Count | 4 |
| Hydrogen Donor Count | 2 |
| Polar Surface Area | 74.6 Ų |
| Rotatable Bond Count | 2 |
| Physiological Charge | -1 |
| Formal Charge | 0 |
| Refractivity | 22.95 m³·mol⁻¹ |
| Polarizability | 10.43 |