3-{[1-(3-chloro-4-methylphenyl)-1H-tetrazol-5-yl]sulfanyl}propanenitrile
Chemical Structure Depiction of
3-{[1-(3-chloro-4-methylphenyl)-1H-tetrazol-5-yl]sulfanyl}propanenitrile
3-{[1-(3-chloro-4-methylphenyl)-1H-tetrazol-5-yl]sulfanyl}propanenitrile
Compound characteristics
| Compound ID: | 8012-9086 |
| Compound Name: | 3-{[1-(3-chloro-4-methylphenyl)-1H-tetrazol-5-yl]sulfanyl}propanenitrile |
| Molecular Weight: | 279.75 |
| Molecular Formula: | C11 H10 Cl N5 S |
| Smiles: | Cc1ccc(cc1[Cl])n1c(nnn1)SCCC#N |
| Stereo: | ACHIRAL |
| logP: | 2.6848 |
| logD: | 2.6848 |
| logSw: | -3.2639 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 57.652 |
| InChI Key: | KXELOESPXCELFT-UHFFFAOYSA-N |