| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | PF9AD5G86Z |
| EPA CompTox | DTXSID7060259 |
Structure
| InChI Key | WFCLYEAZTHWNEH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C3H5N1S1 |
| Molecular Weight | 87.01 |
| AlogP | 1.22 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 23.79 |
| Heavy Atoms | 5.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 542-90-5 |
| NORMAN SUSDAT | |
| FDA SRS | PF9AD5G86Z |
| PubChem | 10968 |
| ChemSpider | 10503.0 |
CONTENTS
