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83318-99-4 | Pyridinium, 1-methyl-2-(methylthio)-4,6-diphenyl-, iodide
CAS No: 83318-99-4 Catalog No: AG004T0J MDL No:
Product Description
Catalog Number:
AG004T0J
Chemical Name:
Pyridinium, 1-methyl-2-(methylthio)-4,6-diphenyl-, iodide
CAS Number:
83318-99-4
Molecular Formula:
C19H18INS
Molecular Weight:
419.3224
IUPAC Name:
1-methyl-2-methylsulfanyl-4,6-diphenylpyridin-1-ium;iodide
InChI:
InChI=1S/C19H18NS.HI/c1-20-18(16-11-7-4-8-12-16)13-17(14-19(20)21-2)15-9-5-3-6-10-15;/h3-14H,1-2H3;1H/q+1;/p-1
InChI Key:
OTYWMGQIRQMQMT-UHFFFAOYSA-M
SMILES:
CSc1cc(cc([n+]1C)c1ccccc1)c1ccccc1.[I-]
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.02g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
419.324g/mol
Monoisotopic Mass:
419.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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