1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid
1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y043-8307 |
| Compound Name: | 1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 258.29 |
| Molecular Formula: | C10 H14 N2 O4 S |
| Smiles: | Cc1c(C(O)=O)c(C)n(C2CCS(C2)(=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.7471 |
| logD: | -3.8374 |
| logSw: | -1.0678 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.335 |
| InChI Key: | AZWKPIJIXFGFHH-MRVPVSSYSA-N |