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67066-22-2 | 2,4,6-Triphenyl-1-propylpyridin-1-ium thiocyanate
CAS No: 67066-22-2 Catalog No: AG01EWUP MDL No:
Product Description
Catalog Number:
AG01EWUP
Chemical Name:
2,4,6-Triphenyl-1-propylpyridin-1-ium thiocyanate
CAS Number:
67066-22-2
Molecular Formula:
C27H24N2S
Molecular Weight:
408.5579
IUPAC Name:
2,4,6-triphenyl-1-propylpyridin-1-ium;thiocyanate
InChI:
InChI=1S/C26H24N.CHNS/c1-2-18-27-25(22-14-8-4-9-15-22)19-24(21-12-6-3-7-13-21)20-26(27)23-16-10-5-11-17-23;2-1-3/h3-17,19-20H,2,18H2,1H3;3H/q+1;/p-1
InChI Key:
YKKUAZZXNBMYTG-UHFFFAOYSA-M
SMILES:
CCC[n+]1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1.[S-]C#N
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.166g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
408.563g/mol
Monoisotopic Mass:
408.166g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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