12-[3-(methylsulfanyl)phenyl]-2,3,9,9a-tetrahydro-1H-3a,9-(epiminomethanoimino)benzo[b]cyclopenta[e]pyran-11-thione
Chemical Structure Depiction of
12-[3-(methylsulfanyl)phenyl]-2,3,9,9a-tetrahydro-1H-3a,9-(epiminomethanoimino)benzo[b]cyclopenta[e]pyran-11-thione
12-[3-(methylsulfanyl)phenyl]-2,3,9,9a-tetrahydro-1H-3a,9-(epiminomethanoimino)benzo[b]cyclopenta[e]pyran-11-thione
Compound characteristics
| Compound ID: | C446-0019 |
| Compound Name: | 12-[3-(methylsulfanyl)phenyl]-2,3,9,9a-tetrahydro-1H-3a,9-(epiminomethanoimino)benzo[b]cyclopenta[e]pyran-11-thione |
| Molecular Weight: | 368.52 |
| Molecular Formula: | C20 H20 N2 O S2 |
| Smiles: | CSc1cccc(c1)N1C(NC2C3CCCC13Oc1ccccc12)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5133 |
| logD: | 4.5133 |
| logSw: | -4.4269 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 20.7207 |
| InChI Key: | JWXNPEZZNWFCCK-UHFFFAOYSA-N |