| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 7QSJ4T5U48 |
| EPA CompTox | DTXSID30193075 |
Structure
| InChI Key | HRYCNFLXCKVTER-QMMMGPOBSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H18O1S1 |
| Molecular Weight | 162.11 |
| AlogP | 2.51 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 400052-49-5 |
| NORMAN SUSDAT | |
| FDA SRS | 7QSJ4T5U48 |
CONTENTS
