3-(3,4-dimethylbenzene-1-sulfonyl)propanenitrile
Chemical Structure Depiction of
3-(3,4-dimethylbenzene-1-sulfonyl)propanenitrile
3-(3,4-dimethylbenzene-1-sulfonyl)propanenitrile
Compound characteristics
| Compound ID: | 0091-0099 |
| Compound Name: | 3-(3,4-dimethylbenzene-1-sulfonyl)propanenitrile |
| Molecular Weight: | 223.29 |
| Molecular Formula: | C11 H13 N O2 S |
| Smiles: | Cc1ccc(cc1C)S(CCC#N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6619 |
| logD: | 1.6619 |
| logSw: | -2.2944 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.766 |
| InChI Key: | SWOYAUHKJYFBEH-UHFFFAOYSA-N |