| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | ML8VQF5GGG |
| EPA CompTox | DTXSID20164951 |
| InChI Key | AJJCQYIECZAJBB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H12O2S1 |
| Molecular Weight | 160.06 |
| AlogP | 1.47 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 15205-68-2 |
| NORMAN SUSDAT | |
| FDA SRS | ML8VQF5GGG |
| PubChem | 27134 |
| ChemSpider | 25254.0 |