ethyl 5-oxo-3-sulfanyl-4,5-dihydro-1,2,4-triazine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-oxo-3-sulfanyl-4,5-dihydro-1,2,4-triazine-6-carboxylate
ethyl 5-oxo-3-sulfanyl-4,5-dihydro-1,2,4-triazine-6-carboxylate
Compound characteristics
| Compound ID: | C301-6397 |
| Compound Name: | ethyl 5-oxo-3-sulfanyl-4,5-dihydro-1,2,4-triazine-6-carboxylate |
| Molecular Weight: | 201.2 |
| Molecular Formula: | C6 H7 N3 O3 S |
| Smiles: | CCOC(C1C(NC(=NN=1)S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3128 |
| logD: | -3.261 |
| logSw: | -1.2941 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.053 |
| InChI Key: | CVUZWTLCUJJDHG-UHFFFAOYSA-N |