AC1LX46E
N-[[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-iodoaniline
Also Known As: AK-968/12974756|N-({4-allyl-5-[(3-bromobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-(4-iodophenyl)amine|N-[[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-iodoaniline|N-({5-[(3-bromobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)-4-iodoaniline
CAS: 438454-75-2
| Molecular Formula | C19H18BrIN4S |
|---|---|
| Molecular Weight | 539.94806 g/mol |
| LogP | 5.7356 |
| Topological Polar Surface Area | 42.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 539.94806 |
| Monoisotopic Mass | 539.94806 |
| Heavy Atoms | 26 |
| Complexity | 879.50055 |
Chemical Identifiers
| CAS Number | 438454-75-2 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC2=CC(=CC=C2)Br)CNC3=CC=C(C=C3)I |
Product Overview
AC1LX46E (CAS 438454-75-2), with molecular formula C19H18BrIN4S and molecular weight 539.94806 g/mol. IUPAC: N-[[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-iodoaniline.
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 →
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