| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 05CB62UH9K |
| EPA CompTox | DTXSID90195651 |
Structure
| InChI Key | TYRAENAWSLPSLW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H7N1O1S1 |
| Molecular Weight | 141.02 |
| AlogP | 1.74 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 29.96 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 43039-98-1 |
| NORMAN SUSDAT | |
| FDA SRS | 05CB62UH9K |
| PubChem | 65288 |
| ChemSpider | 58779.0 |
CONTENTS
