| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 9H9BCF87R7 |
| EPA CompTox | DTXSID3065582 |
Structure
| InChI Key | ISKUAGFDTRLBHG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H6O2S1 |
| Molecular Weight | 142.01 |
| AlogP | 1.78 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 30.21 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 13679-61-3 |
| NORMAN SUSDAT | |
| FDA SRS | 9H9BCF87R7 |
| PubChem | 61662 |
| ChemSpider | 55567.0 |
CONTENTS
