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Home > Fluorides > 132360-05-5
132360-05-5 | 3-Pyridinecarbonitrile, 6-(4-fluorophenyl)-1,2-dihydro-4-methyl-2-thioxo-
CAS No: 132360-05-5 Catalog No: AG0010LA MDL No:
Product Description
Catalog Number:
AG0010LA
Chemical Name:
3-Pyridinecarbonitrile, 6-(4-fluorophenyl)-1,2-dihydro-4-methyl-2-thioxo-
CAS Number:
132360-05-5
Molecular Formula:
C13H9FN2S
Molecular Weight:
244.2874
IUPAC Name:
6-(4-fluorophenyl)-4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C13H9FN2S/c1-8-6-12(16-13(17)11(8)7-15)9-2-4-10(14)5-3-9/h2-6H,1H3,(H,16,17)
InChI Key:
NDMAOKQTCODWGU-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)cc([nH]c1=S)c1ccc(cc1)F
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.047g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.287g/mol
Monoisotopic Mass:
244.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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