| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | W4J3WEF93N |
| EPA CompTox | DTXSID80178271 |
Structure
| InChI Key | SOGBOGBTIKMGFS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H6N2O1S1 |
| Molecular Weight | 142.02 |
| AlogP | 0.35 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 55.12 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2361-27-5 |
| NORMAN SUSDAT | |
| FDA SRS | W4J3WEF93N |
| PubChem | 73098 |
| ChemSpider | 10250.0 |
CONTENTS
