| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | UJX4FC5EWK |
| EPA CompTox | DTXSID20207312 |
Structure
| InChI Key | RFWDYENQLCEITI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H26O2S2 |
| Molecular Weight | 266.14 |
| AlogP | 2.78 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 13.0 |
| Polar Surface Area | 40.46 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 58593-33-2 |
| NORMAN SUSDAT | |
| FDA SRS | UJX4FC5EWK |
| PubChem | 94118 |
| ChemSpider | 84939.0 |
CONTENTS
