2-methyl-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1,3,4-thiadiazole
Chemical Structure Depiction of
2-methyl-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1,3,4-thiadiazole
2-methyl-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1,3,4-thiadiazole
Compound characteristics
| Compound ID: | 6937-0104 |
| Compound Name: | 2-methyl-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1,3,4-thiadiazole |
| Molecular Weight: | 258.28 |
| Molecular Formula: | C6 H6 N6 O2 S2 |
| Smiles: | Cc1nnc(Sc2nc(nn2C)[N+]([O-])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 0.8689 |
| logD: | 0.8689 |
| logSw: | -1.1742 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.872 |
| InChI Key: | PBNLEVKUOHIVDA-UHFFFAOYSA-N |