4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}benzonitrile
Chemical Structure Depiction of
4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}benzonitrile
4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}benzonitrile
Compound characteristics
| Compound ID: | 3448-3264 |
| Compound Name: | 4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}benzonitrile |
| Molecular Weight: | 282.38 |
| Molecular Formula: | C15 H10 N2 S2 |
| Smiles: | C(c1ccc(C#N)cc1)Sc1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.1782 |
| logD: | 4.1782 |
| logSw: | -4.4825 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 26.1046 |
| InChI Key: | KVGWIVCRWJUNPM-UHFFFAOYSA-N |