rel-(1R,2R,5S)-2-(5-methyl-2-sulfanylidene-1,3,4-thiadiazol-3(2H)-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
rel-(1R,2R,5S)-2-(5-methyl-2-sulfanylidene-1,3,4-thiadiazol-3(2H)-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
rel-(1R,2R,5S)-2-(5-methyl-2-sulfanylidene-1,3,4-thiadiazol-3(2H)-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8015-7268 |
| Compound Name: | rel-(1R,2R,5S)-2-(5-methyl-2-sulfanylidene-1,3,4-thiadiazol-3(2H)-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 258.31 |
| Molecular Formula: | C9 H10 N2 O3 S2 |
| Smiles: | CC1=NN(C(=S)S1)[C@H]1CC([C@@H]2OC[C@H]1O2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1753 |
| logD: | 1.1752 |
| logSw: | -1.7022 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 43.37 |
| InChI Key: | QMKPZJRWARXWIR-UIISKDMLSA-N |