methyl (4-isothiocyanatophenyl)acetate
Chemical Structure Depiction of
methyl (4-isothiocyanatophenyl)acetate
methyl (4-isothiocyanatophenyl)acetate
Compound characteristics
| Compound ID: | 8018-1724 |
| Compound Name: | methyl (4-isothiocyanatophenyl)acetate |
| Molecular Weight: | 207.25 |
| Molecular Formula: | C10 H9 N O2 S |
| Smiles: | COC(Cc1ccc(cc1)N=C=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9241 |
| logD: | 2.9241 |
| logSw: | -3.1687 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 29.5275 |
| InChI Key: | YJVMZRQLTVUMTL-UHFFFAOYSA-N |