3-{[(4-bromophenyl)methyl]sulfanyl}-4,5-dimethyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-bromophenyl)methyl]sulfanyl}-4,5-dimethyl-4H-1,2,4-triazole
3-{[(4-bromophenyl)methyl]sulfanyl}-4,5-dimethyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-1079 |
| Compound Name: | 3-{[(4-bromophenyl)methyl]sulfanyl}-4,5-dimethyl-4H-1,2,4-triazole |
| Molecular Weight: | 298.2 |
| Molecular Formula: | C11 H12 Br N3 S |
| Smiles: | Cc1nnc(n1C)SCc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.3369 |
| logD: | 2.3369 |
| logSw: | -2.287 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 26.0993 |
| InChI Key: | NOLVWLGVMIVWMG-UHFFFAOYSA-N |