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Home > Fluorides > 116579-41-0
116579-41-0 | Pyridine, 4-(ethylthio)-2-[3-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-
CAS No: 116579-41-0 Catalog No: AG000CTT MDL No:
Product Description
Catalog Number:
AG000CTT
Chemical Name:
Pyridine, 4-(ethylthio)-2-[3-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-
CAS Number:
116579-41-0
Molecular Formula:
C21H15F6NS
Molecular Weight:
427.4059
IUPAC Name:
4-ethylsulfanyl-2-[3-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]pyridine
InChI:
InChI=1S/C21H15F6NS/c1-2-29-17-11-18(13-6-8-15(9-7-13)20(22,23)24)28-19(12-17)14-4-3-5-16(10-14)21(25,26)27/h3-12H,2H2,1H3
InChI Key:
CSISMGJETDUWRO-UHFFFAOYSA-N
SMILES:
CCSc1cc(nc(c1)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.083g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
427.408g/mol
Monoisotopic Mass:
427.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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