5-isothiocyanato-1,2,3-trimethoxybenzene
Chemical Structure Depiction of
5-isothiocyanato-1,2,3-trimethoxybenzene
5-isothiocyanato-1,2,3-trimethoxybenzene
Compound characteristics
| Compound ID: | 8018-2763 |
| Compound Name: | 5-isothiocyanato-1,2,3-trimethoxybenzene |
| Molecular Weight: | 225.26 |
| Molecular Formula: | C10 H11 N O3 S |
| Smiles: | COc1cc(cc(c1OC)OC)N=C=S |
| Stereo: | ACHIRAL |
| logP: | 3.1005 |
| logD: | 3.1005 |
| logSw: | -3.207 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 31.927 |
| InChI Key: | AFWKAIYTSPWWCA-UHFFFAOYSA-N |