| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | PRA9L5PF5Y |
| EPA CompTox | DTXSID00179427 |
Structure
| InChI Key | ISOQNEPBGIJCLU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H10O3S2 |
| Molecular Weight | 170.01 |
| AlogP | 0.58 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 54.37 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 24687-42-1 |
| NORMAN SUSDAT | |
| FDA SRS | PRA9L5PF5Y |
| PubChem | 90584 |
| ChemSpider | 81786.0 |
CONTENTS
