| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | RCK2DWK2N7 |
| EPA CompTox | DTXSID90205168 |
Structure
| InChI Key | JGFBQFKZKSSODQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H5N1S1 |
| Molecular Weight | 99.01 |
| AlogP | 1.25 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 12.36 |
| Heavy Atoms | 6.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 56601-42-4 |
| NORMAN SUSDAT | |
| FDA SRS | RCK2DWK2N7 |
| PubChem | 92463 |
| ChemSpider | 83478.0 |
CONTENTS
