2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]aniline
Chemical Structure Depiction of
2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]aniline
2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]aniline
Compound characteristics
| Compound ID: | L150-0107 |
| Compound Name: | 2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]aniline |
| Molecular Weight: | 285.16 |
| Molecular Formula: | C9 H9 Br N4 S |
| Smiles: | Cn1c(nc(n1)[Br])Sc1ccccc1N |
| Stereo: | ACHIRAL |
| logP: | 2.1164 |
| logD: | 2.1164 |
| logSw: | -2.1533 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.689 |
| InChI Key: | SCHVNVPNJNWFGR-UHFFFAOYSA-N |