| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 554PDF1275 |
| EPA CompTox | DTXSID8022088 |
| InChI Key | HTMQZWFSTJVJEQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C14H14O1S1 |
| Molecular Weight | 230.08 |
| AlogP | 3.14 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 621-08-9 |
| NORMAN SUSDAT | |
| FDA SRS | 554PDF1275 |
| PubChem | 12116 |
| ChemSpider | 11618.0 |