| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 02C005Q20B |
| EPA CompTox | DTXSID0040624 |
Structure
| InChI Key | MHMRAFONCSQAIA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H8N2O2S2 |
| Molecular Weight | 228.0 |
| AlogP | 2.22 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 54.59 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 87-11-6 |
| NORMAN SUSDAT | |
| FDA SRS | 02C005Q20B |
| PubChem | 6870 |
| ChemSpider | 6608.0 |
CONTENTS
