| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 8D5GA7PEG6 |
| EPA CompTox | DTXSID60243370 |
Structure
| InChI Key | BUTHMSUEBYPMKJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C3H4O6S |
| Molecular Weight | 167.97 |
| AlogP | -1.47 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 108.74 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 98022-26-5 |
| NORMAN SUSDAT | |
| FDA SRS | 8D5GA7PEG6 |
| PubChem | 440717 |
CONTENTS
