3-[(5-{[(pentafluorophenyl)methyl]sulfanyl}-2-sulfanylidene-2H-1,3-dithiol-4-yl)sulfanyl]propanenitrile
Chemical Structure Depiction of
3-[(5-{[(pentafluorophenyl)methyl]sulfanyl}-2-sulfanylidene-2H-1,3-dithiol-4-yl)sulfanyl]propanenitrile
3-[(5-{[(pentafluorophenyl)methyl]sulfanyl}-2-sulfanylidene-2H-1,3-dithiol-4-yl)sulfanyl]propanenitrile
Compound characteristics
| Compound ID: | 4454-0042 |
| Compound Name: | 3-[(5-{[(pentafluorophenyl)methyl]sulfanyl}-2-sulfanylidene-2H-1,3-dithiol-4-yl)sulfanyl]propanenitrile |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C13 H6 F5 N S5 |
| Smiles: | C(CSC1=C(SCc2c(c(c(c(c2F)F)F)F)F)SC(=S)S1)C#N |
| Stereo: | ACHIRAL |
| logP: | 5.707 |
| logD: | 5.707 |
| logSw: | -5.7236 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 18.0168 |
| InChI Key: | AYWVJAHBIKPEDF-UHFFFAOYSA-N |