AC1LLL80
methyl 4-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-oxobutanoate
Also Known As: BAS 06900117|AM-807/13104353|methyl 4-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-oxobutanoate|methyl 4-{[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-oxobutanoate|methyl 4-((3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl)thio)-3-oxobutanoate|methyl 4-[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)(2-pyridylthio)]-3-oxobutan oate
| Molecular Formula | C16H11F3N2O3S2 |
|---|---|
| Molecular Weight | 400.01633 g/mol |
| LogP | 3.92488 |
| Topological Polar Surface Area | 80.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.01633 |
| Monoisotopic Mass | 400.01633 |
| Heavy Atoms | 26 |
| Complexity | 858.8554 |
Chemical Identifiers
| CAS Number | 445266-57-9 |
|---|---|
| SMILES | COC(=O)CC(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C(F)(F)F)C#N |
Product Overview
AC1LLL80 (CAS 445266-57-9), with molecular formula C16H11F3N2O3S2 and molecular weight 400.01633 g/mol. IUPAC: methyl 4-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-oxobutanoate.
AC1LLL80 is a custom synthesis product. We offer services from milligram to kilogram scale.
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