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Home > Fluorides > 182127-90-8
182127-90-8 | 3-Pyridinecarbonitrile, 1,2-dihydro-4-methyl-2-thioxo-6-(trifluoromethyl)-
CAS No: 182127-90-8 Catalog No: AG0023ED MDL No:MFCD00470224
Product Description
Catalog Number:
AG0023ED
Chemical Name:
3-Pyridinecarbonitrile, 1,2-dihydro-4-methyl-2-thioxo-6-(trifluoromethyl)-
CAS Number:
182127-90-8
Molecular Formula:
C8H5F3N2S
Molecular Weight:
218.1989
MDL Number:
MFCD00470224
IUPAC Name:
4-methyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C8H5F3N2S/c1-4-2-6(8(9,10)11)13-7(14)5(4)3-12/h2H,1H3,(H,13,14)
InChI Key:
AVJUGRADFNKISA-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)cc([nH]c1=S)C(F)(F)F
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.013g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.197g/mol
Monoisotopic Mass:
218.013g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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