S-methyl 5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carbothioate
Chemical Structure Depiction of
S-methyl 5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carbothioate
S-methyl 5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carbothioate
Compound characteristics
| Compound ID: | 8017-7347 |
| Compound Name: | S-methyl 5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carbothioate |
| Molecular Weight: | 247.32 |
| Molecular Formula: | C12 H13 N3 O S |
| Smiles: | Cc1c(C(=O)SC)c(N)n(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.6843 |
| logD: | 1.6843 |
| logSw: | -2.0952 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.179 |
| InChI Key: | LIIZEQQAVNNLKE-UHFFFAOYSA-N |