methyl 4-[(4-methylphenyl)sulfanyl]-3-nitrobenzoate
Chemical Structure Depiction of
methyl 4-[(4-methylphenyl)sulfanyl]-3-nitrobenzoate
methyl 4-[(4-methylphenyl)sulfanyl]-3-nitrobenzoate
Compound characteristics
| Compound ID: | K783-4851 |
| Compound Name: | methyl 4-[(4-methylphenyl)sulfanyl]-3-nitrobenzoate |
| Molecular Weight: | 303.33 |
| Molecular Formula: | C15 H13 N O4 S |
| Smiles: | Cc1ccc(cc1)Sc1ccc(cc1[N+]([O-])=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.9367 |
| logD: | 4.9367 |
| logSw: | -4.7435 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.221 |
| InChI Key: | ARNLUTFWHBZERP-UHFFFAOYSA-N |