AC1MFD0B
(3-hydroxy-2,4-dimethyl-1-oxido-5-thiophen-2-yl-4H-imidazol-1-ium-2-yl)-(4-methylphenyl)methanone
Also Known As: BAS 05210372|(3-hydroxy-2,4-dimethyl-1-oxido-5-thiophen-2-yl-4H-imidazol-1-ium-2-yl)-(4-methylphenyl)methanone|(1-Hydroxy-2,5-dimethyl-3-oxy-4-thiophen-2-yl-2,5-dihydro-1H-imidazol-2-yl)-p-tolyl-methanone|[1-hydroxy-2,5-dimethyl-3-oxido-4-(thiophen-2-yl)-2,5-dihydro-1H-imidazol-2-yl](4-methylphenyl)methanone|1-hydroxy-2,5-dimethyl-2-(4-methylbenzoyl)-4-(thiophen-2-yl)-2,5-dihydro-1H-imidazol-3-ium-3-olate|1-hydroxy-2,5-dimethyl-2-(4-methylbenzoyl)-4-(thiophen-2-yl)-2,5-dihydro-1H-imidazole 3-oxide
| Molecular Formula | C17H18N2O3S |
|---|---|
| Molecular Weight | 330.10382 g/mol |
| LogP | 3.04832 |
| Topological Polar Surface Area | 66.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.10382 |
| Monoisotopic Mass | 330.10382 |
| Heavy Atoms | 23 |
| Complexity | 767.646 |
Chemical Identifiers
| CAS Number | 433253-76-0 |
|---|---|
| SMILES | CC1C(=[N+](C(N1O)(C)C(=O)C2=CC=C(C=C2)C)[O-])C3=CC=CS3 |
Product Overview
AC1MFD0B (CAS 433253-76-0), with molecular formula C17H18N2O3S and molecular weight 330.10382 g/mol. IUPAC: (3-hydroxy-2,4-dimethyl-1-oxido-5-thiophen-2-yl-4H-imidazol-1-ium-2-yl)-(4-methylphenyl)methanone.
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