| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID90234776 |
Structure
| InChI Key | SXYFRONLEKYUEC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H12O3S2 |
| Molecular Weight | 268.02 |
| AlogP | 2.7 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 43.37 |
| Heavy Atoms | 17.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 85567-51-7 |
| NORMAN SUSDAT | |
| PubChem | 6366083 |
| ChemSpider | 4896716.0 |
CONTENTS
