4-(4-methoxyphenyl)-2-phenyl-4,4a,5,6,7,8-hexahydro-8aH-1-benzothiopyran-8a-thiol
Chemical Structure Depiction of
4-(4-methoxyphenyl)-2-phenyl-4,4a,5,6,7,8-hexahydro-8aH-1-benzothiopyran-8a-thiol
4-(4-methoxyphenyl)-2-phenyl-4,4a,5,6,7,8-hexahydro-8aH-1-benzothiopyran-8a-thiol
Compound characteristics
| Compound ID: | 4971-0024 |
| Compound Name: | 4-(4-methoxyphenyl)-2-phenyl-4,4a,5,6,7,8-hexahydro-8aH-1-benzothiopyran-8a-thiol |
| Molecular Weight: | 368.56 |
| Molecular Formula: | C22 H24 O S2 |
| Smiles: | COc1ccc(cc1)C1C=C(c2ccccc2)SC2(CCCCC12)S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.4142 |
| logD: | 6.4118 |
| logSw: | -5.9408 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 7.3518 |
| InChI Key: | XBNFAXGTIQLGTL-UHFFFAOYSA-N |