| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | R1C97E3A4F |
| EPA CompTox | DTXSID1047491 |
Structure
| InChI Key | KBPBOWBQRUXMFV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H6N2S1 |
| Molecular Weight | 126.03 |
| AlogP | 1.2 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 25.78 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 21948-70-9 |
| NORMAN SUSDAT | |
| FDA SRS | R1C97E3A4F |
| PubChem | 519907 |
| ChemSpider | 453496.0 |
CONTENTS
