| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | A9H8PF5P28 |
| EPA CompTox | DTXSID50171774 |
Structure
| InChI Key | CYWGSFFHHMQKET-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C3H9N1S1 |
| Molecular Weight | 91.05 |
| AlogP | 0.31 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 26.02 |
| Heavy Atoms | 5.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 18542-42-2 |
| NORMAN SUSDAT | |
| FDA SRS | A9H8PF5P28 |
| PubChem | 87697 |
| ChemSpider | 79116.0 |
CONTENTS
