| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | M12342PPGS |
| EPA CompTox | DTXSID4074431 |
Structure
| InChI Key | MOTOSAGBNXXRRE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H8O2S1 |
| Molecular Weight | 167.02 |
| AlogP | 0.53 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 40.13 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 103-04-8 |
| NORMAN SUSDAT | |
| FDA SRS | M12342PPGS |
| PubChem | 59541 |
| ChemSpider | 53706.0 |
CONTENTS
