2-sulfanylidene-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-sulfanylidene-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile
2-sulfanylidene-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 4478-7481 |
| Compound Name: | 2-sulfanylidene-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 218.32 |
| Molecular Formula: | C12 H14 N2 S |
| Smiles: | C1CCCC2=C(CC1)C=C(C#N)C(N2)=S |
| Stereo: | ACHIRAL |
| logP: | 2.9567 |
| logD: | 1.4967 |
| logSw: | -3.2793 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.3922 |
| InChI Key: | KJZGSJGINZZEDY-UHFFFAOYSA-N |