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89645-99-8 | Quinolinium, 1-[(hexylthio)methyl]-6-methyl-, chloride
CAS No: 89645-99-8 Catalog No: AG003VKB MDL No:
Product Description
Catalog Number:
AG003VKB
Chemical Name:
Quinolinium, 1-[(hexylthio)methyl]-6-methyl-, chloride
CAS Number:
89645-99-8
Molecular Formula:
C17H24ClNS
Molecular Weight:
309.8972
IUPAC Name:
1-(hexylsulfanylmethyl)-6-methylquinolin-1-ium;chloride
InChI:
InChI=1S/C17H24NS.ClH/c1-3-4-5-6-12-19-14-18-11-7-8-16-13-15(2)9-10-17(16)18;/h7-11,13H,3-6,12,14H2,1-2H3;1H/q+1;/p-1
InChI Key:
NVEZWPVVJKNEOD-UHFFFAOYSA-M
SMILES:
CCCCCCSC[n+]1cccc2c1ccc(c2)C.[Cl-]
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.132g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.896g/mol
Monoisotopic Mass:
309.132g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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