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89645-98-7 | Quinolinium, 1-[(butylthio)methyl]-6-methyl-, chloride
CAS No: 89645-98-7 Catalog No: AG003VHV MDL No:
Product Description
Catalog Number:
AG003VHV
Chemical Name:
Quinolinium, 1-[(butylthio)methyl]-6-methyl-, chloride
CAS Number:
89645-98-7
Molecular Formula:
C15H20ClNS
Molecular Weight:
281.8440
IUPAC Name:
1-(butylsulfanylmethyl)-6-methylquinolin-1-ium;chloride
InChI:
InChI=1S/C15H20NS.ClH/c1-3-4-10-17-12-16-9-5-6-14-11-13(2)7-8-15(14)16;/h5-9,11H,3-4,10,12H2,1-2H3;1H/q+1;/p-1
InChI Key:
KJVMWHPZRRAZJK-UHFFFAOYSA-M
SMILES:
CCCCSC[n+]1cccc2c1ccc(c2)C.[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:
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:
5
Topological Polar Surface Area:
29.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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