| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | KW7SB3CF8S |
| EPA CompTox | DTXSID2068185 |
Structure
| InChI Key | GBJFQMKBFBYNPC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H18O2S1 |
| Molecular Weight | 190.1 |
| AlogP | 2.43 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 39583-10-3 |
| NORMAN SUSDAT | |
| FDA SRS | KW7SB3CF8S |
| PubChem | 170225 |
| ChemSpider | 148840.0 |
CONTENTS
