| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | IGN6YR3CJE |
| EPA CompTox | DTXSID90168087 |
Structure
| InChI Key | LPZQTNIAYMRVMF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H12O2S1 |
| Molecular Weight | 148.06 |
| AlogP | 1.3 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 16630-55-0 |
| NORMAN SUSDAT | |
| FDA SRS | IGN6YR3CJE |
| PubChem | 85519 |
| ChemSpider | 77128.0 |
CONTENTS
