2-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)-5-methylphenol
Chemical Structure Depiction of
2-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)-5-methylphenol
2-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)-5-methylphenol
Compound characteristics
| Compound ID: | 8009-9705 |
| Compound Name: | 2-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)-5-methylphenol |
| Molecular Weight: | 316.48 |
| Molecular Formula: | C18 H20 O S2 |
| Smiles: | Cc1ccc(C2SCc3cc(C)c(C)cc3CS2)c(c1)O |
| Stereo: | ACHIRAL |
| logP: | 6.0499 |
| logD: | 6.0497 |
| logSw: | -5.3133 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 16.7666 |
| InChI Key: | NIXIEPDUSCDAKH-UHFFFAOYSA-N |