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36063-25-9 | 2-methyl-4-(methylthio)quinoline
CAS No: 36063-25-9 Catalog No: AG01CAK5 MDL No:MFCD00829026
Product Description
Catalog Number:
AG01CAK5
Chemical Name:
2-methyl-4-(methylthio)quinoline
CAS Number:
36063-25-9
Molecular Formula:
C11H11NS
Molecular Weight:
189.2767
MDL Number:
MFCD00829026
IUPAC Name:
2-methyl-4-methylsulfanylquinoline
InChI:
InChI=1S/C11H11NS/c1-8-7-11(13-2)9-5-3-4-6-10(9)12-8/h3-7H,1-2H3
InChI Key:
NVZABOHNOFBOGB-UHFFFAOYSA-N
SMILES:
CSc1cc(C)nc2c1cccc2
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.061g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.276g/mol
Monoisotopic Mass:
189.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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