1-(3,4-dimethylphenyl)-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-tetrazole
Chemical Structure Depiction of
1-(3,4-dimethylphenyl)-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-tetrazole
1-(3,4-dimethylphenyl)-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-tetrazole
Compound characteristics
| Compound ID: | 6646-0149 |
| Compound Name: | 1-(3,4-dimethylphenyl)-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-tetrazole |
| Molecular Weight: | 332.34 |
| Molecular Formula: | C12 H12 N8 O2 S |
| Smiles: | Cc1ccc(cc1C)n1c(nnn1)Sc1nc(nn1C)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7075 |
| logD: | 2.7075 |
| logSw: | -2.9368 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 97.123 |
| InChI Key: | JIOIWTLYQWYRTR-UHFFFAOYSA-N |