| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | TYH54NG95Y |
| EPA CompTox | DTXSID5068499 |
Structure
| InChI Key | OBDVFOBWBHMJDG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C3H8O3S2 |
| Molecular Weight | 155.99 |
| AlogP | 0.19 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 54.37 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 49594-30-1 |
| NORMAN SUSDAT | |
| FDA SRS | TYH54NG95Y |
| PubChem | 87206 |
| ChemSpider | 78667.0 |
CONTENTS
