4-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]benzene-1-sulfonic acid
Chemical Structure Depiction of
4-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]benzene-1-sulfonic acid
4-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]benzene-1-sulfonic acid
Compound characteristics
| Compound ID: | 1014-0045 |
| Compound Name: | 4-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]benzene-1-sulfonic acid |
| Molecular Weight: | 328.32 |
| Molecular Formula: | C10 H8 N4 O5 S2 |
| Smiles: | c1cc(ccc1NN=C1C(NC(NC1=O)=S)=O)S(O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -1.2677 |
| logD: | -14.9677 |
| logSw: | -2.1497 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 112.015 |
| InChI Key: | CWPHRGVZIYOQKI-UHFFFAOYSA-N |