AC1M2DOT
methyl 4-[[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate
Also Known As: ChemDiv3_007235|IDI1_025145|NCGC00177837-01|F1625-0068|methyl 4-({[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzoate|BRD-K05266851-001-01-5|methyl 4-[[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate|methyl 4-{[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-ylthio]methyl}benzoate|methyl 4-(((4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)methyl)benzoate|methyl p-{[4-(2-thienyl)-6-(trifluoromethyl)-2-pyrimidinylthio]methyl}benzoate
| Molecular Formula | C18H13F3N2O2S2 |
|---|---|
| Molecular Weight | 410.03705 g/mol |
| LogP | 5.3028 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.03705 |
| Monoisotopic Mass | 410.03705 |
| Heavy Atoms | 27 |
| Complexity | 926.77985 |
Chemical Identifiers
| CAS Number | 710288-68-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3 |
Product Overview
AC1M2DOT (CAS 710288-68-9), with molecular formula C18H13F3N2O2S2 and molecular weight 410.03705 g/mol. IUPAC: methyl 4-[[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate.
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