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Home > Fluorides > 116610-92-5
116610-92-5 | Pyridine, 4-(methylthio)-2-[2-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-
CAS No: 116610-92-5 Catalog No: AG000CVL MDL No:
Product Description
Catalog Number:
AG000CVL
Chemical Name:
Pyridine, 4-(methylthio)-2-[2-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-
CAS Number:
116610-92-5
Molecular Formula:
C20H13F6NS
Molecular Weight:
413.3793
IUPAC Name:
4-methylsulfanyl-2-[2-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]pyridine
InChI:
InChI=1S/C20H13F6NS/c1-28-14-10-17(12-6-8-13(9-7-12)19(21,22)23)27-18(11-14)15-4-2-3-5-16(15)20(24,25)26/h2-11H,1H3
InChI Key:
YBRCDCNZWSNBSQ-UHFFFAOYSA-N
SMILES:
CSc1cc(nc(c1)c1ccccc1C(F)(F)F)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.067g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
413.381g/mol
Monoisotopic Mass:
413.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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