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89645-96-5 | Quinolinium, 1-[(hexylthio)methyl]-, chloride
CAS No: 89645-96-5 Catalog No: AG003VHW MDL No:
Product Description
Catalog Number:
AG003VHW
Chemical Name:
Quinolinium, 1-[(hexylthio)methyl]-, chloride
CAS Number:
89645-96-5
Molecular Formula:
C16H22ClNS
Molecular Weight:
295.8706
IUPAC Name:
1-(hexylsulfanylmethyl)quinolin-1-ium;chloride
InChI:
InChI=1S/C16H22NS.ClH/c1-2-3-4-7-13-18-14-17-12-8-10-15-9-5-6-11-16(15)17;/h5-6,8-12H,2-4,7,13-14H2,1H3;1H/q+1;/p-1
InChI Key:
ADXVFPBZWCOPMW-UHFFFAOYSA-M
SMILES:
CCCCCCSC[n+]1cccc2c1cccc2.[Cl-]
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.869g/mol
Monoisotopic Mass:
295.116g/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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