| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | T72Z5M7P5T |
| EPA CompTox | DTXSID6049220 |
Structure
| InChI Key | HBCQSNAFLVXVAY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H4N2S1 |
| Molecular Weight | 112.01 |
| AlogP | 0.77 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 25.78 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1450-85-7 |
| NORMAN SUSDAT | |
| FDA SRS | T72Z5M7P5T |
| PubChem | 1550489 |
| ChemSpider | 1267066.0 |
CONTENTS
