| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 6V3012Q6BE |
| EPA CompTox | DTXSID40236745 |
Structure
| InChI Key | YNVOMSDITJMNET-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H4O2S1 |
| Molecular Weight | 127.99 |
| AlogP | 1.45 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 88-13-1 |
| NORMAN SUSDAT | |
| FDA SRS | 6V3012Q6BE |
| PubChem | 6918 |
| ChemSpider | 6652.0 |
CONTENTS
