3-{[(4-bromophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-amine
Chemical Structure Depiction of
3-{[(4-bromophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-amine
3-{[(4-bromophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-amine
Compound characteristics
| Compound ID: | Y021-1871 |
| Compound Name: | 3-{[(4-bromophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-amine |
| Molecular Weight: | 285.16 |
| Molecular Formula: | C9 H9 Br N4 S |
| Smiles: | C(c1ccc(cc1)[Br])Sc1nc(N)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 2.3112 |
| logD: | 2.3068 |
| logSw: | -2.4603 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 53.211 |
| InChI Key: | VTPKRPQOMFJIMJ-UHFFFAOYSA-N |