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83936-11-2 | Quinoline, 4-methoxy-3-(methylthio)-
CAS No: 83936-11-2 Catalog No: AG005311 MDL No:MFCD28336986
Product Description
Catalog Number:
AG005311
Chemical Name:
Quinoline, 4-methoxy-3-(methylthio)-
CAS Number:
83936-11-2
Molecular Formula:
C11H11NOS
Molecular Weight:
205.2761
MDL Number:
MFCD28336986
IUPAC Name:
4-methoxy-3-methylsulfanylquinoline
InChI:
InChI=1S/C11H11NOS/c1-13-11-8-5-3-4-6-9(8)12-7-10(11)14-2/h3-7H,1-2H3
InChI Key:
LVPMQPQQOULSGF-UHFFFAOYSA-N
SMILES:
COc1c(SC)cnc2c1cccc2
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.056g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.275g/mol
Monoisotopic Mass:
205.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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