| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 9I83N3TI03 |
| EPA CompTox | DTXSID10196120 |
Structure
| InChI Key | YEZHGQZHWKJPCM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H17N1S1 |
| Molecular Weight | 171.11 |
| AlogP | 3.45 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 12.36 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4430-45-9 |
| NORMAN SUSDAT | |
| FDA SRS | 9I83N3TI03 |
| PubChem | 78161 |
| ChemSpider | 70537.0 |
CONTENTS
