1-(5-iminio-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-c]pyrimidin-2(3H)-ylidene)ethan-1-olate
Chemical Structure Depiction of
1-(5-iminio-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-c]pyrimidin-2(3H)-ylidene)ethan-1-olate
1-(5-iminio-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-c]pyrimidin-2(3H)-ylidene)ethan-1-olate
Compound characteristics
| Compound ID: | 8016-6264 |
| Compound Name: | 1-(5-iminio-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-c]pyrimidin-2(3H)-ylidene)ethan-1-olate |
| Molecular Weight: | 223.25 |
| Molecular Formula: | C9 H9 N3 O2 S |
| Smiles: | [H][N+]([H])=C1N=C(C)C=C2N1C(/C(=C(\C)[O-])S2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1526 |
| logD: | 0.1526 |
| logSw: | -1.6916 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.241 |
| InChI Key: | NXUPYKIXLZRSNT-UHFFFAOYSA-N |