6-benzyl-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
6-benzyl-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one
6-benzyl-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | 8005-9146 |
| Compound Name: | 6-benzyl-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 219.26 |
| Molecular Formula: | C10 H9 N3 O S |
| Smiles: | C(C1C(NC(NN=1)=S)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.904 |
| logD: | 1.8946 |
| logSw: | -2.316 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.521 |
| InChI Key: | FVLMRSJALFJPOF-UHFFFAOYSA-N |