2-cyanoethyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
2-cyanoethyl 4-methylbenzene-1-sulfonate
2-cyanoethyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | 0527-0001 |
| Compound Name: | 2-cyanoethyl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 225.26 |
| Molecular Formula: | C10 H11 N O3 S |
| Smiles: | Cc1ccc(cc1)S(=O)(=O)OCCC#N |
| Stereo: | ACHIRAL |
| logP: | 1.1191 |
| logD: | 1.1191 |
| logSw: | -2.2103 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.009 |
| InChI Key: | JRGDCDUZKXETSW-UHFFFAOYSA-N |