6-[(2-hydroxy-4-oxopent-2-en-3-yl)sulfanyl]-1,2,4-triazine-3,5(2H,4H)-dione
Chemical Structure Depiction of
6-[(2-hydroxy-4-oxopent-2-en-3-yl)sulfanyl]-1,2,4-triazine-3,5(2H,4H)-dione
6-[(2-hydroxy-4-oxopent-2-en-3-yl)sulfanyl]-1,2,4-triazine-3,5(2H,4H)-dione
Compound characteristics
| Compound ID: | 3232-0094 |
| Compound Name: | 6-[(2-hydroxy-4-oxopent-2-en-3-yl)sulfanyl]-1,2,4-triazine-3,5(2H,4H)-dione |
| Molecular Weight: | 243.24 |
| Molecular Formula: | C8 H9 N3 O4 S |
| Smiles: | C/C(=C(/C(C)=O)SC1C(NC(NN=1)=O)=O)O |
| Stereo: | ACHIRAL |
| logP: | -0.6833 |
| logD: | -0.697 |
| logSw: | -1.5926 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.029 |
| InChI Key: | NRHFSDJNIZQETQ-UHFFFAOYSA-N |