1-benzyl-5-(methylsulfanyl)-3-nitro-1H-1,2,4-triazole
Chemical Structure Depiction of
1-benzyl-5-(methylsulfanyl)-3-nitro-1H-1,2,4-triazole
1-benzyl-5-(methylsulfanyl)-3-nitro-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8012-0992 |
| Compound Name: | 1-benzyl-5-(methylsulfanyl)-3-nitro-1H-1,2,4-triazole |
| Molecular Weight: | 250.28 |
| Molecular Formula: | C10 H10 N4 O2 S |
| Smiles: | CSc1nc(nn1Cc1ccccc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2709 |
| logD: | 2.2709 |
| logSw: | -2.476 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.915 |
| InChI Key: | UPKGGHMVZOXJTC-UHFFFAOYSA-N |