| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4T42G735LJ |
| EPA CompTox | DTXSID0044945 |
Structure
| InChI Key | GAECBAMNQFGJIM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H12O2S2 |
| Molecular Weight | 168.03 |
| AlogP | 0.39 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 40.46 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 44860-68-6 |
| NORMAN SUSDAT | |
| FDA SRS | 4T42G735LJ |
| PubChem | 94785 |
| ChemSpider | 85521.0 |
CONTENTS
