4-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamido}phenyl thiocyanate
Chemical Structure Depiction of
4-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamido}phenyl thiocyanate
4-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamido}phenyl thiocyanate
Compound characteristics
| Compound ID: | 8012-9438 |
| Compound Name: | 4-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamido}phenyl thiocyanate |
| Molecular Weight: | 368.44 |
| Molecular Formula: | C16 H12 N6 O S2 |
| Smiles: | C(C(Nc1ccc(cc1)SC#N)=O)Sc1nnnn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.002 |
| logD: | 3.002 |
| logSw: | -3.4568 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.835 |
| InChI Key: | AYZBNBYSEWKRTR-UHFFFAOYSA-N |