6-[(2-oxopropyl)sulfanyl]-1,2,4-triazine-3,5(2H,4H)-dione
Chemical Structure Depiction of
6-[(2-oxopropyl)sulfanyl]-1,2,4-triazine-3,5(2H,4H)-dione
6-[(2-oxopropyl)sulfanyl]-1,2,4-triazine-3,5(2H,4H)-dione
Compound characteristics
| Compound ID: | 1682-3118 |
| Compound Name: | 6-[(2-oxopropyl)sulfanyl]-1,2,4-triazine-3,5(2H,4H)-dione |
| Molecular Weight: | 201.2 |
| Molecular Formula: | C6 H7 N3 O3 S |
| Smiles: | CC(CSC1C(NC(NN=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.8177 |
| logD: | -0.8449 |
| logSw: | -1.3708 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.661 |
| InChI Key: | FSHYCQPQTIYNBU-UHFFFAOYSA-N |