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917749-55-4 | 7-Methoxy-3-methyl-quinoline-2-thiol
CAS No: 917749-55-4 Catalog No: AG01EZ7C MDL No:
Product Description
Catalog Number:
AG01EZ7C
Chemical Name:
7-Methoxy-3-methyl-quinoline-2-thiol
CAS Number:
917749-55-4
Molecular Formula:
C11H11NOS
Molecular Weight:
205.2761
IUPAC Name:
7-methoxy-3-methyl-1H-quinoline-2-thione
InChI:
InChI=1S/C11H11NOS/c1-7-5-8-3-4-9(13-2)6-10(8)12-11(7)14/h3-6H,1-2H3,(H,12,14)
InChI Key:
MNNMKKIMRCFSPH-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc(c(c2)C)S
Properties
Complexity:
275
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.275g/mol
Monoisotopic Mass:
205.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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