AC1LXI8Y structure

AC1LXI8Y

ethyl 4-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-oxobutanoate

Also Known As: ChemDiv1_017821|HMS637K01|BAS 01107934|AG-205/12759192|SR-01000508073-1|A0278/0012631|ethyl 4-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate|ethyl 4-((3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl)thio)-3-oxobutanoate|ethyl 4-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-oxobutanoate|ethyl 4-{[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-oxobutanoate

CAS: 290299-68-2
Molecular Formula C17H13F3N2O3S2
Molecular Weight 414.03198 g/mol
LogP 4.31498
Topological Polar Surface Area 80.05 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
Rotatable Bonds 7
Exact Mass 414.03198
Monoisotopic Mass 414.03198
Heavy Atoms 27
Complexity 874.7793

Chemical Identifiers

CAS Number 290299-68-2
SMILES CCOC(=O)CC(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C(F)(F)F)C#N

Product Overview

AC1LXI8Y (CAS 290299-68-2), with molecular formula C17H13F3N2O3S2 and molecular weight 414.03198 g/mol. IUPAC: ethyl 4-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-oxobutanoate.

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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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