C21H15BrN4O3S
2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone
Also Known As: 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone|2-((4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(3,4-dihydroxyphenyl)ethanone
CAS: 586991-72-2
| Molecular Formula | C21H15BrN4O3S |
|---|---|
| Molecular Weight | 482.00482 g/mol |
| LogP | 4.478 |
| Topological Polar Surface Area | 101.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 482.00482 |
| Monoisotopic Mass | 482.00482 |
| Heavy Atoms | 30 |
| Complexity | 1196.8644 |
Chemical Identifiers
| CAS Number | 586991-72-2 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)SCC(=O)C4=CC(=C(C=C4)O)O |
Product Overview
C21H15BrN4O3S (CAS 586991-72-2), with molecular formula C21H15BrN4O3S and molecular weight 482.00482 g/mol. IUPAC: 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
C21H15BrN4O3S is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »