3-chloro-4-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile
Chemical Structure Depiction of
3-chloro-4-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile
3-chloro-4-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile
Compound characteristics
| Compound ID: | 8008-8565 |
| Compound Name: | 3-chloro-4-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile |
| Molecular Weight: | 264.73 |
| Molecular Formula: | C11 H9 Cl N4 S |
| Smiles: | Cn1cnnc1SCc1ccc(C#N)cc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.1801 |
| logD: | 2.1801 |
| logSw: | -3.0446 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.789 |
| InChI Key: | KXUXFXLSEGCVPS-UHFFFAOYSA-N |