| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 596L99BBV4 |
| EPA CompTox | DTXSID9061380 |
Structure
| InChI Key | CALBDOUFMLLGQH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C2H6N2O1S1 |
| Molecular Weight | 106.02 |
| AlogP | -0.61 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 56.11 |
| Heavy Atoms | 6.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1000-83-5 |
| NORMAN SUSDAT | |
| FDA SRS | 596L99BBV4 |
| PubChem | 3033999 |
| ChemSpider | 2298555.0 |
CONTENTS
