AC1N44CD
[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone
Also Known As: F0630-1898|(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(4-(trifluoromethyl)phenyl)methanone|2-{[(3-nitrophenyl)methyl]sulfanyl}-1-[4-(trifluoromethyl)benzoyl]-4,5-dihydro-1H-imidazole|[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CAS: 851808-76-9
| Molecular Formula | C18H14F3N3O3S |
|---|---|
| Molecular Weight | 409.0708 g/mol |
| LogP | 4.3588 |
| Topological Polar Surface Area | 75.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.0708 |
| Monoisotopic Mass | 409.0708 |
| Heavy Atoms | 28 |
| Complexity | 929.6633 |
Chemical Identifiers
| CAS Number | 851808-76-9 |
|---|---|
| SMILES | C1CN(C(=N1)SCC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)C(F)(F)F |
Product Overview
AC1N44CD (CAS 851808-76-9), with molecular formula C18H14F3N3O3S and molecular weight 409.0708 g/mol. IUPAC: [2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone.
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.
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