2-(4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
2-(4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
2-(4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8013-0543 |
| Compound Name: | 2-(4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 241.27 |
| Molecular Formula: | C9 H11 N3 O3 S |
| Smiles: | CN1C=NN(C2CC(C3OCC2O3)=O)C1=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.9109 |
| logD: | -0.9109 |
| logSw: | -0.7778 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.392 |
| InChI Key: | IANCHNVTGAKADM-UHFFFAOYSA-N |