| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 2G6P9RR4EM |
| EPA CompTox | DTXSID90193798 |
Structure
| InChI Key | QGONIKZRWOOHBB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H12O1S1 |
| Molecular Weight | 120.06 |
| AlogP | 1.12 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 40811-49-2 |
| NORMAN SUSDAT | |
| FDA SRS | 2G6P9RR4EM |
| PubChem | 101268 |
| ChemSpider | 4064.0 |
CONTENTS
