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89645-95-4 | Quinolinium, 1-[(pentylthio)methyl]-, chloride
CAS No: 89645-95-4 Catalog No: AG003VVP MDL No:
Product Description
Catalog Number:
AG003VVP
Chemical Name:
Quinolinium, 1-[(pentylthio)methyl]-, chloride
CAS Number:
89645-95-4
Molecular Formula:
C15H20ClNS
Molecular Weight:
281.8440
IUPAC Name:
1-(pentylsulfanylmethyl)quinolin-1-ium;chloride
InChI:
InChI=1S/C15H20NS.ClH/c1-2-3-6-12-17-13-16-11-7-9-14-8-4-5-10-15(14)16;/h4-5,7-11H,2-3,6,12-13H2,1H3;1H/q+1;/p-1
InChI Key:
MFKMCLZEALIKHY-UHFFFAOYSA-M
SMILES:
CCCCCSC[n+]1cccc2c1cccc2.[Cl-]
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.842g/mol
Monoisotopic Mass:
281.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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