AC1OBIWK
N-[[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-methylbutanamide
Also Known As: N-[[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-3-methylbutanamide|N-[[2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-3-methylbutanamide
CAS: 6946-44-7
| Molecular Formula | C19H18BrN3O3S |
|---|---|
| Molecular Weight | 447.02524 g/mol |
| LogP | 4.822 |
| Topological Polar Surface Area | 87.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.02524 |
| Monoisotopic Mass | 447.02524 |
| Heavy Atoms | 27 |
| Complexity | 1016.60254 |
Chemical Identifiers
| CAS Number | 6946-44-7 |
|---|---|
| SMILES | CC(C)CC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)O)Br |
Product Overview
AC1OBIWK (CAS 6946-44-7), with molecular formula C19H18BrN3O3S and molecular weight 447.02524 g/mol. IUPAC: N-[[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-methylbutanamide.
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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