4-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}phenyl thiocyanate
Chemical Structure Depiction of
4-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}phenyl thiocyanate
4-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}phenyl thiocyanate
Compound characteristics
| Compound ID: | Y510-4387 |
| Compound Name: | 4-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}phenyl thiocyanate |
| Molecular Weight: | 357.47 |
| Molecular Formula: | C16 H11 N3 O S3 |
| Smiles: | C(C(Nc1ccc(cc1)SC#N)=O)Sc1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.4276 |
| logD: | 4.4276 |
| logSw: | -4.4359 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.994 |
| InChI Key: | KJAPZXJUPXQDFO-UHFFFAOYSA-N |