AC1LSA5K structure

AC1LSA5K

ethyl 4-[3,5-bis(trifluoromethyl)anilino]-2-methylsulfanylpyrimidine-5-carboxylate

Also Known As: KS-00003DCY|7N-503S|ethyl 4-[3,5-bis(trifluoromethyl)anilino]-2-(methylsulfanyl)-5-pyrimidinecarboxylate|ethyl 4-[3,5-bis(trifluoromethyl)anilino]-2-methylsulfanylpyrimidine-5-carboxylate|ethyl 4-{[3,5-bis(trifluoromethyl)phenyl]amino}-2-(methylsulfanyl)pyrimidine-5-carboxylate|Ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-(methylthio)-5-pyrimidinecarboxylate|Ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate|Ethyl 4-[3,5-bis(trifluoromethyl)anilino]-2-(methylsulfanyl)pyrimidine-5-carboxylate|ethyl4-{[3,5-bis(trifluoromethyl)phenyl]amino}-2-(methylsulfanyl)pyrimidine-5-carboxylate

CAS: 339019-44-2
Molecular Formula C16H13F6N3O2S
Molecular Weight 425.06326 g/mol
LogP 5.1564
Topological Polar Surface Area 64.11 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 5
Exact Mass 425.06326
Monoisotopic Mass 425.06326
Heavy Atoms 28
Complexity 838.1837

Chemical Identifiers

CAS Number 339019-44-2
SMILES CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)SC

Product Overview

AC1LSA5K (CAS 339019-44-2), with molecular formula C16H13F6N3O2S and molecular weight 425.06326 g/mol. IUPAC: ethyl 4-[3,5-bis(trifluoromethyl)anilino]-2-methylsulfanylpyrimidine-5-carboxylate.

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