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88064-52-2 | Pyridinium, 1-(1-methylpropyl)-2,4,6-triphenyl-, thiocyanate
CAS No: 88064-52-2 Catalog No: AG004EYP MDL No:
Product Description
Catalog Number:
AG004EYP
Chemical Name:
Pyridinium, 1-(1-methylpropyl)-2,4,6-triphenyl-, thiocyanate
CAS Number:
88064-52-2
Molecular Formula:
C28H26N2S
Molecular Weight:
422.5844
IUPAC Name:
1-butan-2-yl-2,4,6-triphenylpyridin-1-ium;thiocyanate
InChI:
InChI=1S/C27H26N.CHNS/c1-3-21(2)28-26(23-15-9-5-10-16-23)19-25(22-13-7-4-8-14-22)20-27(28)24-17-11-6-12-18-24;2-1-3/h4-21H,3H2,1-2H3;3H/q+1;/p-1
InChI Key:
XHOCBCQEFJJFDY-UHFFFAOYSA-M
SMILES:
CCC([n+]1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1)C.[S-]C#N
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.182g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.59g/mol
Monoisotopic Mass:
422.182g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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