3-(4-chlorophenyl)-5-[4-(methylsulfanyl)phenyl]-4,5-dihydro-1H-pyrazole-1-carbothioamide
Chemical Structure Depiction of
3-(4-chlorophenyl)-5-[4-(methylsulfanyl)phenyl]-4,5-dihydro-1H-pyrazole-1-carbothioamide
3-(4-chlorophenyl)-5-[4-(methylsulfanyl)phenyl]-4,5-dihydro-1H-pyrazole-1-carbothioamide
Compound characteristics
| Compound ID: | C202-4020 |
| Compound Name: | 3-(4-chlorophenyl)-5-[4-(methylsulfanyl)phenyl]-4,5-dihydro-1H-pyrazole-1-carbothioamide |
| Molecular Weight: | 361.91 |
| Molecular Formula: | C17 H16 Cl N3 S2 |
| Smiles: | CSc1ccc(cc1)C1CC(c2ccc(cc2)[Cl])=NN1C(N)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9345 |
| logD: | 4.9345 |
| logSw: | -5.2617 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 30.6995 |
| InChI Key: | UAMMJJAKSNUGQQ-MRXNPFEDSA-N |