| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | W1DWO9ND9C |
| EPA CompTox | DTXSID00177367 |
Structure
| InChI Key | KCWWXXYQPUDKBX-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 | 4.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 22812-90-4 |
| NORMAN SUSDAT | |
| FDA SRS | W1DWO9ND9C |
| PubChem | 89850 |
| ChemSpider | 81103.0 |
CONTENTS
