| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 9YQ0903F7V |
| EPA CompTox | DTXSID9047209 |
Structure
| InChI Key | DNVLJEWNNDHELH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H11N1S3 |
| Molecular Weight | 181.01 |
| AlogP | 1.96 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 3.24 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 31895-21-3 |
| NORMAN SUSDAT | |
| FDA SRS | 9YQ0903F7V |
| PubChem | 35970 |
| ChemSpider | 33084.0 |
CONTENTS
