| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID80191965 |
Structure
| InChI Key | HTSAVXAFEVUJQE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H7N1O1S1 |
| Molecular Weight | 117.02 |
| AlogP | 0.74 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 21.59 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 38663-85-3 |
| NORMAN SUSDAT | |
| PubChem | 123475 |
| ChemSpider | 110071.0 |
CONTENTS
