potassium--5-cyano-4-(4-nitrophenyl)-6-oxo-1,6-dihydropyrimidine-2-thiolate (1/1)
Chemical Structure Depiction of
potassium--5-cyano-4-(4-nitrophenyl)-6-oxo-1,6-dihydropyrimidine-2-thiolate (1/1)
potassium--5-cyano-4-(4-nitrophenyl)-6-oxo-1,6-dihydropyrimidine-2-thiolate (1/1)
Compound characteristics
| Compound ID: | 8010-4471 |
| Compound Name: | potassium--5-cyano-4-(4-nitrophenyl)-6-oxo-1,6-dihydropyrimidine-2-thiolate (1/1) |
| Molecular Weight: | 312.34 |
| Molecular Formula: | C11 H5 N4 O3 S |
| Salt: | K+ |
| Smiles: | C(C1=C(c2ccc(cc2)[N+]([O-])=O)N=C(NC1=O)[S-])#N |
| Stereo: | ACHIRAL |
| logP: | 1.3413 |
| logD: | -0.8061 |
| logSw: | -2.3139 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.052 |
| InChI Key: | AGXNLNMPHFXGSH-UHFFFAOYSA-M |