4-{2-[(1H-benzimidazol-2-yl)sulfanyl]acetamido}phenyl thiocyanate
Chemical Structure Depiction of
4-{2-[(1H-benzimidazol-2-yl)sulfanyl]acetamido}phenyl thiocyanate
4-{2-[(1H-benzimidazol-2-yl)sulfanyl]acetamido}phenyl thiocyanate
Compound characteristics
| Compound ID: | Y510-4422 |
| Compound Name: | 4-{2-[(1H-benzimidazol-2-yl)sulfanyl]acetamido}phenyl thiocyanate |
| Molecular Weight: | 340.42 |
| Molecular Formula: | C16 H12 N4 O S2 |
| Smiles: | C(C(Nc1ccc(cc1)SC#N)=O)Sc1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 3.0819 |
| logD: | 3.0813 |
| logSw: | -3.4669 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.926 |
| InChI Key: | WKWMOGOIIGNHET-UHFFFAOYSA-N |