| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | IW05BB9XBM |
| EPA CompTox | DTXSID7052656 |
Structure
| InChI Key | CNUDBTRUORMMPA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H4O1S1 |
| Molecular Weight | 112.0 |
| AlogP | 1.56 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 98-03-3 |
| NORMAN SUSDAT | |
| FDA SRS | IW05BB9XBM |
| PubChem | 7364 |
| ChemSpider | 7086.0 |
CONTENTS
