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126159-81-7 | Quinoline, 1,4-dihydro-1-methyl-3-(methylsulfinyl)-
CAS No: 126159-81-7 Catalog No: AG000RVU MDL No:
Product Description
Catalog Number:
AG000RVU
Chemical Name:
Quinoline, 1,4-dihydro-1-methyl-3-(methylsulfinyl)-
CAS Number:
126159-81-7
Molecular Formula:
C11H13NOS
Molecular Weight:
207.2920
IUPAC Name:
1-methyl-3-methylsulfinyl-4H-quinoline
InChI:
InChI=1S/C11H13NOS/c1-12-8-10(14(2)13)7-9-5-3-4-6-11(9)12/h3-6,8H,7H2,1-2H3
InChI Key:
YQFLFYFLSJYSEH-UHFFFAOYSA-N
SMILES:
CS(=O)C1=CN(C)c2c(C1)cccc2
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.291g/mol
Monoisotopic Mass:
207.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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