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Home > Imidazoles > 1352947-66-0
1352947-66-0 | 1-Methyl-3-[6-(Methylsulfinyl)hexyl]iMidazoliuM p-Toluenesulfonate
CAS No: 1352947-66-0 Catalog No: AG009F43 MDL No:
Product Description
Catalog Number:
AG009F43
Chemical Name:
1-Methyl-3-[6-(Methylsulfinyl)hexyl]iMidazoliuM p-Toluenesulfonate
CAS Number:
1352947-66-0
IUPAC Name:
4-methylbenzenesulfonate;1-methyl-3-(6-methylsulfinylhexyl)imidazol-1-ium
InChI:
InChI=1S/C11H21N2OS.C7H8O3S/c1-12-8-9-13(11-12)7-5-3-4-6-10-15(2)14;1-6-2-4-7(5-3-6)11(8,9)10/h8-9,11H,3-7,10H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChI Key:
YITFXJWLFMQQRC-UHFFFAOYSA-M
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.149g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.552g/mol
Monoisotopic Mass:
400.149g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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