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67190-01-6 | Quinolinium, 1-ethyl-2-(ethylthio)-, chloride
CAS No: 67190-01-6 Catalog No: AG006K9M MDL No:
Product Description
Catalog Number:
AG006K9M
Chemical Name:
Quinolinium, 1-ethyl-2-(ethylthio)-, chloride
CAS Number:
67190-01-6
Molecular Formula:
C13H16ClNS
Molecular Weight:
253.7908
IUPAC Name:
1-ethyl-2-ethylsulfanylquinolin-1-ium;chloride
InChI:
InChI=1S/C13H16NS.ClH/c1-3-14-12-8-6-5-7-11(12)9-10-13(14)15-4-2;/h5-10H,3-4H2,1-2H3;1H/q+1;/p-1
InChI Key:
IPPBNDLDEGNDQN-UHFFFAOYSA-M
SMILES:
CCSc1ccc2c([n+]1CC)cccc2.[Cl-]
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.788g/mol
Monoisotopic Mass:
253.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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