| Synonyms | |
| Molecule Category | Free-form |
| UNII | KL6U8NL15R |
| EPA CompTox | DTXSID10212071 |
| Source | Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ... |
Structure
| InChI Key | SGHJUJBYMSVAJY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H11NS |
| Molecular Weight | 129.22 |
| AlogP | 2.8 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 44.45 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 629-12-9 |
| ChEMBL | CHEMBL1814589 |
| FDA SRS | KL6U8NL15R |
| SureChEMBL | SCHEMBL175645 |
| ZINC | ZINC01845901 |
CONTENTS
