AC1OBU2I
3-(2-bromophenyl)-4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-5-(2-bromophenyl)-4-((2-chloro-5-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol|3-(2-bromophenyl)-4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione|5-(2-bromophenyl)-4-[(2-chloro-5-nitro-phenyl)methylideneamino]-2H-1,2,4-triazole-3-thione|5-(2-bromophenyl)-4-{[(E)-(2-chloro-5-nitrophenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione|5-(2-bromophenyl)-4-{[(E)-(2-chloro-5-nitrophenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide
| Molecular Formula | C15H9BrClN5O2S |
|---|---|
| Molecular Weight | 436.93488 g/mol |
| LogP | 4.81399 |
| Topological Polar Surface Area | 89.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.93488 |
| Monoisotopic Mass | 436.93488 |
| Heavy Atoms | 25 |
| Complexity | 1046.3961 |
Chemical Identifiers
| CAS Number | 488792-99-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NNC(=S)N2/N=C/C3=C(C=CC(=C3)[N+](=O)[O-])Cl)Br |
Product Overview
AC1OBU2I (CAS 488792-99-0), with molecular formula C15H9BrClN5O2S and molecular weight 436.93488 g/mol. IUPAC: 3-(2-bromophenyl)-4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.