dimethyl 5-isothiocyanatobenzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-isothiocyanatobenzene-1,3-dicarboxylate
dimethyl 5-isothiocyanatobenzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 8018-1747 |
| Compound Name: | dimethyl 5-isothiocyanatobenzene-1,3-dicarboxylate |
| Molecular Weight: | 251.26 |
| Molecular Formula: | C11 H9 N O4 S |
| Smiles: | COC(c1cc(cc(c1)N=C=S)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5198 |
| logD: | 3.5198 |
| logSw: | -3.8074 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 51.296 |
| InChI Key: | SEFVBTNZOHDLLS-UHFFFAOYSA-N |