2-(4-methyl-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
2-(4-methyl-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
2-(4-methyl-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8013-1850 |
| Compound Name: | 2-(4-methyl-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 242.25 |
| Molecular Formula: | C8 H10 N4 O3 S |
| Smiles: | CN1C(N(C2CC(C3OCC2O3)=O)N=N1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.0565 |
| logD: | -0.0565 |
| logSw: | -0.9322 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.844 |
| InChI Key: | UJAOELUCCQBESU-UHFFFAOYSA-N |