| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | H83ZE7K3VU |
| EPA CompTox | DTXSID5065350 |
Structure
| InChI Key | DTRIDVOOPAQEEL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H8O2S1 |
| Molecular Weight | 120.02 |
| AlogP | 0.78 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 13095-73-3 |
| NORMAN SUSDAT | |
| FDA SRS | H83ZE7K3VU |
| PubChem | 25700 |
| ChemSpider | 23941.0 |
CONTENTS
