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Home > Fluorides > 116610-85-6
116610-85-6 | Pyridine, 2-(2-methylphenyl)-4-(methylthio)-6-[4-(trifluoromethyl)phenyl]-
CAS No: 116610-85-6 Catalog No: AG000CVN MDL No:
Product Description
Catalog Number:
AG000CVN
Chemical Name:
Pyridine, 2-(2-methylphenyl)-4-(methylthio)-6-[4-(trifluoromethyl)phenyl]-
CAS Number:
116610-85-6
Molecular Formula:
C20H16F3NS
Molecular Weight:
359.4079
IUPAC Name:
2-(2-methylphenyl)-4-methylsulfanyl-6-[4-(trifluoromethyl)phenyl]pyridine
InChI:
InChI=1S/C20H16F3NS/c1-13-5-3-4-6-17(13)19-12-16(25-2)11-18(24-19)14-7-9-15(10-8-14)20(21,22)23/h3-12H,1-2H3
InChI Key:
KBOAGPIMJOZGJA-UHFFFAOYSA-N
SMILES:
CSc1cc(nc(c1)c1ccccc1C)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.096g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.41g/mol
Monoisotopic Mass:
359.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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