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88516-25-0 | Pyridinium, 1-[2-[(triphenylmethyl)thio]ethyl]-, methanesulfonate
CAS No: 88516-25-0 Catalog No: AG0048JR MDL No:
Product Description
Catalog Number:
AG0048JR
Chemical Name:
Pyridinium, 1-[2-[(triphenylmethyl)thio]ethyl]-, methanesulfonate
CAS Number:
88516-25-0
Molecular Formula:
C27H27NO3S2
Molecular Weight:
477.6382
IUPAC Name:
methanesulfonate;1-(2-tritylsulfanylethyl)pyridin-1-ium
InChI:
InChI=1S/C26H24NS.CH4O3S/c1-5-13-23(14-6-1)26(24-15-7-2-8-16-24,25-17-9-3-10-18-25)28-22-21-27-19-11-4-12-20-27;1-5(2,3)4/h1-20H,21-22H2;1H3,(H,2,3,4)/q+1;/p-1
InChI Key:
LPRRYQUPCOWRSG-UHFFFAOYSA-M
SMILES:
c1cc[n+](cc1)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1.[O-]S(=O)(=O)C
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
477.143g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
477.637g/mol
Monoisotopic Mass:
477.143g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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