4-[2-(4-iodo-2-methylphenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Chemical Structure Depiction of
4-[2-(4-iodo-2-methylphenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
4-[2-(4-iodo-2-methylphenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Compound characteristics
| Compound ID: | 1951-2361 |
| Compound Name: | 4-[2-(4-iodo-2-methylphenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide |
| Molecular Weight: | 401.23 |
| Molecular Formula: | C12 H12 I N5 O S |
| Smiles: | CC1\C(C(N(C(N)=S)N=1)=O)=N/Nc1ccc(cc1C)I |
| Stereo: | ACHIRAL |
| logP: | 3.4555 |
| logD: | 3.454 |
| logSw: | -3.7962 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.645 |
| InChI Key: | ORSCTFRUJZPQPU-UHFFFAOYSA-N |