| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | HEH5WL3PD3 |
| EPA CompTox | DTXSID00158459 |
Structure
| InChI Key | VEWLDLAARDMXSB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C2H4O4S1 |
| Molecular Weight | 123.98 |
| AlogP | -0.05 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 63.6 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 13401-80-4 |
| NORMAN SUSDAT | |
| FDA SRS | HEH5WL3PD3 |
| PubChem | 88818056 |
| ChemSpider | 75262.0 |
CONTENTS
