| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID70940681 |
Structure
| InChI Key | RLLJHMBTZSGFAS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H10OS |
| Molecular Weight | 166.05 |
| AlogP | 1.98 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 19093-37-9 |
| NORMAN SUSDAT | |
| PubChem | 87928 |
CONTENTS
