| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | YG215SEW5T |
| EPA CompTox | DTXSID9052636 |
Structure
| InChI Key | GTDLILFCRHJTRW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H16O1S1 |
| Molecular Weight | 148.09 |
| AlogP | 2.12 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 94291-50-6 |
| NORMAN SUSDAT | |
| FDA SRS | YG215SEW5T |
| PubChem | 3024273 |
| ChemSpider | 2290239.0 |
CONTENTS
