| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | KTV2WN28SV |
| EPA CompTox | DTXSID4061383 |
Structure
| InChI Key | FCTXEFOUDMXDPD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C3H5N1S1 |
| Molecular Weight | 87.01 |
| AlogP | 0.83 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 23.79 |
| Heavy Atoms | 5.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1001-58-7 |
| NORMAN SUSDAT | |
| FDA SRS | KTV2WN28SV |
| PubChem | 70477 |
| ChemSpider | 63654.0 |
CONTENTS
