4-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)phenol
Chemical Structure Depiction of
4-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)phenol
4-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)phenol
Compound characteristics
| Compound ID: | 2729-1114 |
| Compound Name: | 4-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)phenol |
| Molecular Weight: | 302.46 |
| Molecular Formula: | C17 H18 O S2 |
| Smiles: | Cc1cc2CSC(c3ccc(cc3)O)SCc2cc1C |
| Stereo: | ACHIRAL |
| logP: | 5.2379 |
| logD: | 5.2371 |
| logSw: | -5.0992 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 17.8355 |
| InChI Key: | ORHCZRXGLKBGRU-UHFFFAOYSA-N |