| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | YME8QXY8ED |
| EPA CompTox | DTXSID00186717 |
Structure
| InChI Key | YAZSBRQTAHVVGE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H8N2O2S1 |
| Molecular Weight | 172.03 |
| AlogP | -0.08 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 86.18 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3306-62-5 |
| NORMAN SUSDAT | |
| FDA SRS | YME8QXY8ED |
| PubChem | 72894 |
| ChemSpider | 65726.0 |
CONTENTS
