| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | XU9E3PX8FQ |
| EPA CompTox | DTXSID2072203 |
Structure
| InChI Key | IRVQVEXKPWNYRJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H14O4S1 |
| Molecular Weight | 206.06 |
| AlogP | 0.8 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 52.6 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 70942-32-4 |
| NORMAN SUSDAT | |
| FDA SRS | XU9E3PX8FQ |
| PubChem | 116945 |
| ChemSpider | 104521.0 |
CONTENTS
