AC1MFLQ6
ethyl 6-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate
Also Known As: AF-399/15601101|SR-01000247805-1|ethyl 6-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate|ethyl 6-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate|ethyl 6-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-2-thioxo-4-(trifluoromethyl)hexahydro-5-pyrimidinecarboxylate
CAS: 474263-91-7
| Molecular Formula | C16H19F3N2O5S |
|---|---|
| Molecular Weight | 408.09668 g/mol |
| LogP | 1.7399 |
| Topological Polar Surface Area | 100.05 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.09668 |
| Monoisotopic Mass | 408.09668 |
| Heavy Atoms | 27 |
| Complexity | 730.49756 |
Chemical Identifiers
| CAS Number | 474263-91-7 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C(C(NC(=S)N2)(C(F)(F)F)O)C(=O)OCC)O |
Product Overview
AC1MFLQ6 (CAS 474263-91-7), with molecular formula C16H19F3N2O5S and molecular weight 408.09668 g/mol. IUPAC: ethyl 6-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate.
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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