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89646-01-5 | Quinolinium, 1-[(dodecylthio)methyl]-6-methyl-, chloride
CAS No: 89646-01-5 Catalog No: AG003VHU MDL No:
Product Description
Catalog Number:
AG003VHU
Chemical Name:
Quinolinium, 1-[(dodecylthio)methyl]-6-methyl-, chloride
CAS Number:
89646-01-5
Molecular Formula:
C23H36ClNS
Molecular Weight:
394.0566
IUPAC Name:
1-(dodecylsulfanylmethyl)-6-methylquinolin-1-ium;chloride
InChI:
InChI=1S/C23H36NS.ClH/c1-3-4-5-6-7-8-9-10-11-12-18-25-20-24-17-13-14-22-19-21(2)15-16-23(22)24;/h13-17,19H,3-12,18,20H2,1-2H3;1H/q+1;/p-1
InChI Key:
BAPIVSLVWYFJKQ-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCSC[n+]1cccc2c1ccc(c2)C.[Cl-]
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.226g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.058g/mol
Monoisotopic Mass:
393.226g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
29.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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