| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | V2Y33HW2FV |
| EPA CompTox | DTXSID00168573 |
Structure
| InChI Key | DHQYDHVETSVMKQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H14O2S1 |
| Molecular Weight | 174.07 |
| AlogP | 1.79 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 16849-98-2 |
| NORMAN SUSDAT | |
| FDA SRS | V2Y33HW2FV |
| PubChem | 29346 |
| ChemSpider | 27290.0 |
CONTENTS
