{[1-(3-acetylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[1-(3-acetylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetonitrile
{[1-(3-acetylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | 8018-5669 |
| Compound Name: | {[1-(3-acetylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 259.29 |
| Molecular Formula: | C11 H9 N5 O S |
| Smiles: | CC(c1cccc(c1)n1c(nnn1)SCC#N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.033 |
| logD: | 1.033 |
| logSw: | -2.1475 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 71.479 |
| InChI Key: | VMUCULKBKYYXJD-UHFFFAOYSA-N |