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77148-63-1 | Pyridinium, 1-methyl-2-[(2-quinolinylmethyl)thio]-, chloride
CAS No: 77148-63-1 Catalog No: AG005Q2B MDL No:
Product Description
Catalog Number:
AG005Q2B
Chemical Name:
Pyridinium, 1-methyl-2-[(2-quinolinylmethyl)thio]-, chloride
CAS Number:
77148-63-1
Molecular Formula:
C16H15ClN2S
Molecular Weight:
302.8217
IUPAC Name:
2-[(1-methylpyridin-1-ium-2-yl)sulfanylmethyl]quinoline;chloride
InChI:
InChI=1S/C16H15N2S.ClH/c1-18-11-5-4-8-16(18)19-12-14-10-9-13-6-2-3-7-15(13)17-14;/h2-11H,12H2,1H3;1H/q+1;/p-1
InChI Key:
KXGOYRONQNTBCC-UHFFFAOYSA-M
SMILES:
C[n+]1ccccc1SCc1ccc2c(n1)cccc2.[Cl-]
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.064g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.82g/mol
Monoisotopic Mass:
302.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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