| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 8V9N8F2RP4 |
| EPA CompTox | DTXSID6069371 |
Structure
| InChI Key | ROKHJQGWQDMQSQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H10O2S2 |
| Molecular Weight | 166.01 |
| AlogP | 0.78 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 59970-59-1 |
| NORMAN SUSDAT | |
| FDA SRS | 8V9N8F2RP4 |
| PubChem | 108865 |
| ChemSpider | 97900.0 |
CONTENTS
