| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5R92N7S722 |
| EPA CompTox | DTXSID50192045 |
Structure
| InChI Key | ANMHSIXPUAKNLM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H12O1S1 |
| Molecular Weight | 168.06 |
| AlogP | 1.91 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3878-41-9 |
| NORMAN SUSDAT | |
| FDA SRS | 5R92N7S722 |
| PubChem | 77486 |
| ChemSpider | 69895.0 |
CONTENTS
