(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetonitrile
Chemical Structure Depiction of
(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetonitrile
(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetonitrile
Compound characteristics
| Compound ID: | 8003-7719 |
| Compound Name: | (1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetonitrile |
| Molecular Weight: | 222.22 |
| Molecular Formula: | C9 H6 N2 O3 S |
| Smiles: | C(C#N)N1C(c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0731 |
| logD: | -0.0731 |
| logSw: | -2.3859 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.925 |
| InChI Key: | XOOUGZKBOROESV-UHFFFAOYSA-N |