3,5a,6,11b-tetrahydro-2H,5H-[1]benzopyrano[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-2-thione
Chemical Structure Depiction of
3,5a,6,11b-tetrahydro-2H,5H-[1]benzopyrano[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-2-thione
3,5a,6,11b-tetrahydro-2H,5H-[1]benzopyrano[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-2-thione
Compound characteristics
| Compound ID: | 8014-0664 |
| Compound Name: | 3,5a,6,11b-tetrahydro-2H,5H-[1]benzopyrano[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-2-thione |
| Molecular Weight: | 293.43 |
| Molecular Formula: | C13 H11 N O S3 |
| Smiles: | C1C2CSC3=C(C2c2ccccc2O1)SC(N3)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0959 |
| logD: | 4.0712 |
| logSw: | -4.4471 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 18.5837 |
| InChI Key: | CQEDRLWGEKTFRY-UHFFFAOYSA-N |