2,4-diphenyl-4,4a,5,6,7,8-hexahydro-8aH-1-benzothiopyran-8a-thiol
Chemical Structure Depiction of
2,4-diphenyl-4,4a,5,6,7,8-hexahydro-8aH-1-benzothiopyran-8a-thiol
2,4-diphenyl-4,4a,5,6,7,8-hexahydro-8aH-1-benzothiopyran-8a-thiol
Compound characteristics
| Compound ID: | 4971-0023 |
| Compound Name: | 2,4-diphenyl-4,4a,5,6,7,8-hexahydro-8aH-1-benzothiopyran-8a-thiol |
| Molecular Weight: | 338.53 |
| Molecular Formula: | C21 H22 S2 |
| Smiles: | C1CCC2(C(C1)C(C=C(c1ccccc1)S2)c1ccccc1)S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.4361 |
| logD: | 6.4338 |
| logSw: | -6.2734 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| InChI Key: | NHPGGMMMZYRZIW-UHFFFAOYSA-N |