| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 706IDJ14B7 |
| EPA CompTox | DTXSID3024449 |
Structure
| InChI Key | HTKFORQRBXIQHD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H8N2S1 |
| Molecular Weight | 116.04 |
| AlogP | 0.63 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 35.88 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 109-57-9 |
| NORMAN SUSDAT | |
| FDA SRS | 706IDJ14B7 |
| PubChem | 1549517 |
| ChemSpider | 1266393.0 |
CONTENTS
