| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | B8YYK9V3W2 |
| EPA CompTox | DTXSID80159929 |
Structure
| InChI Key | FDYDDUUWFJQMQC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H6O2S1 |
| Molecular Weight | 154.01 |
| AlogP | 1.52 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 34.14 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 13678-69-8 |
| NORMAN SUSDAT | |
| FDA SRS | B8YYK9V3W2 |
| PubChem | 83652 |
| ChemSpider | 75476.0 |
CONTENTS
