2-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)phenol
Chemical Structure Depiction of
2-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)phenol
2-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)phenol
Compound characteristics
| Compound ID: | 2729-1066 |
| Compound Name: | 2-(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(c3ccccc3O)SCc2cc1C |
| Stereo: | ACHIRAL |
| logP: | 5.6017 |
| logD: | 5.6014 |
| logSw: | -5.4035 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 16.7666 |
| InChI Key: | CDTRHNXTYFNMBG-UHFFFAOYSA-N |