5-(2-bromophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(2-bromophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
5-(2-bromophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8014-4978 |
| Compound Name: | 5-(2-bromophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 270.15 |
| Molecular Formula: | C9 H8 Br N3 S |
| Smiles: | Cn1c(c2ccccc2[Br])nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.4479 |
| logD: | -0.0415 |
| logSw: | -2.7149 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.622 |
| InChI Key: | YCYXELBWIYJJNP-UHFFFAOYSA-N |