methyl 3-isothiocyanato-4-phenyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 3-isothiocyanato-4-phenyl-1H-pyrrole-2-carboxylate
methyl 3-isothiocyanato-4-phenyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | C200-5903 |
| Compound Name: | methyl 3-isothiocyanato-4-phenyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 258.3 |
| Molecular Formula: | C13 H10 N2 O2 S |
| Smiles: | COC(c1c(c(c[nH]1)c1ccccc1)N=C=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8114 |
| logD: | 3.8114 |
| logSw: | -4.0881 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.382 |
| InChI Key: | MZULKXDZYVRDQF-UHFFFAOYSA-N |