3-{[(2-chlorophenyl)methyl]sulfanyl}-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazole
Chemical Structure Depiction of
3-{[(2-chlorophenyl)methyl]sulfanyl}-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazole
3-{[(2-chlorophenyl)methyl]sulfanyl}-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazole
Compound characteristics
| Compound ID: | 8015-0465 |
| Compound Name: | 3-{[(2-chlorophenyl)methyl]sulfanyl}-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazole |
| Molecular Weight: | 265.72 |
| Molecular Formula: | C10 H8 Cl N5 S |
| Smiles: | C(c1ccccc1[Cl])Sc1nnc2nc[nH]n12 |
| Stereo: | ACHIRAL |
| logP: | 1.8007 |
| logD: | -1.1986 |
| logSw: | -2.2903 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.322 |
| InChI Key: | JGXYYIUDTGYUFG-UHFFFAOYSA-N |