rel-(3aR,6aR)-3a-methyl-3-phenyl-2-sulfanylidenehexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
Chemical Structure Depiction of
rel-(3aR,6aR)-3a-methyl-3-phenyl-2-sulfanylidenehexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
rel-(3aR,6aR)-3a-methyl-3-phenyl-2-sulfanylidenehexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
Compound characteristics
| Compound ID: | 4912-0917 |
| Compound Name: | rel-(3aR,6aR)-3a-methyl-3-phenyl-2-sulfanylidenehexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione |
| Molecular Weight: | 299.43 |
| Molecular Formula: | C12 H13 N O2 S3 |
| Smiles: | C[C@]12CS(C[C@H]1SC(N2c1ccccc1)=S)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1695 |
| logD: | 2.1695 |
| logSw: | -2.3572 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 30.8632 |
| InChI Key: | FIIWHQCDYPZZLN-JQWIXIFHSA-N |