| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID00174614 |
Structure
| InChI Key | ILLCGAJCYFLVSV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H12O2S1 |
| Molecular Weight | 148.06 |
| AlogP | 1.6 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 20600-61-7 |
| NORMAN SUSDAT | |
| PubChem | 88607 |
| ChemSpider | 79945.0 |
CONTENTS
