4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | C201-1895 |
| Compound Name: | 4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonitrile |
| Molecular Weight: | 153.16 |
| Molecular Formula: | C5 H3 N3 O S |
| Smiles: | C1=C(C#N)C(NC(N1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0097 |
| logD: | -1.6974 |
| logSw: | -2.2513 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.049 |
| InChI Key: | XIRKMYIHJOEYDQ-UHFFFAOYSA-N |