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89646-00-4 | Quinolinium, 6-methyl-1-[(octylthio)methyl]-, chloride
CAS No: 89646-00-4 Catalog No: AG003VKA MDL No:
Product Description
Catalog Number:
AG003VKA
Chemical Name:
Quinolinium, 6-methyl-1-[(octylthio)methyl]-, chloride
CAS Number:
89646-00-4
Molecular Formula:
C19H28ClNS
Molecular Weight:
337.9503
IUPAC Name:
6-methyl-1-(octylsulfanylmethyl)quinolin-1-ium;chloride
InChI:
InChI=1S/C19H28NS.ClH/c1-3-4-5-6-7-8-14-21-16-20-13-9-10-18-15-17(2)11-12-19(18)20;/h9-13,15H,3-8,14,16H2,1-2H3;1H/q+1;/p-1
InChI Key:
ICMCAUGJCQITBH-UHFFFAOYSA-M
SMILES:
CCCCCCCCSC[n+]1cccc2c1ccc(c2)C.[Cl-]
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.163g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.95g/mol
Monoisotopic Mass:
337.163g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
29.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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