sodium--S-{2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-oxoethyl} sulfurothioate (1/1)
Chemical Structure Depiction of
sodium--S-{2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-oxoethyl} sulfurothioate (1/1)
sodium--S-{2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-oxoethyl} sulfurothioate (1/1)
Compound characteristics
| Compound ID: | 8009-6824 |
| Compound Name: | sodium--S-{2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-oxoethyl} sulfurothioate (1/1) |
| Molecular Weight: | 379.39 |
| Molecular Formula: | C13 H14 N3 O5 S2 |
| Salt: | Na+ |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(CSS([O-])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -1.5557 |
| logD: | -1.5799 |
| logSw: | -1.8604 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.729 |
| InChI Key: | ZPSWXOKURFPESZ-UHFFFAOYSA-M |