5-{[(4-nitrophenyl)methyl]sulfanyl}-1H-1,2,4-triazole
Chemical Structure Depiction of
5-{[(4-nitrophenyl)methyl]sulfanyl}-1H-1,2,4-triazole
5-{[(4-nitrophenyl)methyl]sulfanyl}-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | 3793-4287 |
| Compound Name: | 5-{[(4-nitrophenyl)methyl]sulfanyl}-1H-1,2,4-triazole |
| Molecular Weight: | 236.25 |
| Molecular Formula: | C9 H8 N4 O2 S |
| Smiles: | C(c1ccc(cc1)[N+]([O-])=O)Sc1ncn[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 0.9893 |
| logD: | 0.613 |
| logSw: | -2.2596 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.774 |
| InChI Key: | GAPVDAUIUSONCC-UHFFFAOYSA-N |