4-methyl-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-methyl-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
4-methyl-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8016-1977 |
| Compound Name: | 4-methyl-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 273.32 |
| Molecular Formula: | C11 H11 N7 S |
| Smiles: | Cn1c(Cn2nc(c3ccccc3)nn2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 0.7325 |
| logD: | 0.3081 |
| logSw: | -0.8932 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.147 |
| InChI Key: | LOUAUKKNXDSDHP-UHFFFAOYSA-N |