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Home > Fluorides > 139030-66-3
139030-66-3 | Pyrimidine, 2-[4-[(difluoromethyl)thio]phenyl]-5-propyl-
CAS No: 139030-66-3 Catalog No: AG001A1A MDL No:
Product Description
Catalog Number:
AG001A1A
Chemical Name:
Pyrimidine, 2-[4-[(difluoromethyl)thio]phenyl]-5-propyl-
CAS Number:
139030-66-3
Molecular Formula:
C14H14F2N2S
Molecular Weight:
280.3362
IUPAC Name:
2-[4-(difluoromethylsulfanyl)phenyl]-5-propylpyrimidine
InChI:
InChI=1S/C14H14F2N2S/c1-2-3-10-8-17-13(18-9-10)11-4-6-12(7-5-11)19-14(15)16/h4-9,14H,2-3H2,1H3
InChI Key:
LWNUWWLGRATMGF-UHFFFAOYSA-N
SMILES:
CCCc1cnc(nc1)c1ccc(cc1)SC(F)F
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.337g/mol
Monoisotopic Mass:
280.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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