3-{[5-({[3,5-bis(trifluoromethyl)phenyl]methyl}sulfanyl)-2-sulfanylidene-2H-1,3-dithiol-4-yl]sulfanyl}propanenitrile
Chemical Structure Depiction of
3-{[5-({[3,5-bis(trifluoromethyl)phenyl]methyl}sulfanyl)-2-sulfanylidene-2H-1,3-dithiol-4-yl]sulfanyl}propanenitrile
3-{[5-({[3,5-bis(trifluoromethyl)phenyl]methyl}sulfanyl)-2-sulfanylidene-2H-1,3-dithiol-4-yl]sulfanyl}propanenitrile
Compound characteristics
| Compound ID: | 4454-0043 |
| Compound Name: | 3-{[5-({[3,5-bis(trifluoromethyl)phenyl]methyl}sulfanyl)-2-sulfanylidene-2H-1,3-dithiol-4-yl]sulfanyl}propanenitrile |
| Molecular Weight: | 477.55 |
| Molecular Formula: | C15 H9 F6 N S5 |
| Smiles: | C(CSC1=C(SCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)SC(=S)S1)C#N |
| Stereo: | ACHIRAL |
| logP: | 6.2856 |
| logD: | 6.2856 |
| logSw: | -6.2597 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 18.0168 |
| InChI Key: | QRXVZNFZIBMTBA-UHFFFAOYSA-N |