| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 1X00T93WYX |
| EPA CompTox | DTXSID00167384 |
Structure
| InChI Key | VFAXPOVKNPTBTM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H10O2S1 |
| Molecular Weight | 146.04 |
| AlogP | 1.17 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 162515-68-6 |
| NORMAN SUSDAT | |
| FDA SRS | 1X00T93WYX |
| PubChem | 9793825 |
| ChemSpider | 11499.0 |
CONTENTS
