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878466-15-0 | 7-methoxy-4-(pyridin-3-yl)quinoline-2-thiol
CAS No: 878466-15-0 Catalog No: AG019P75 MDL No:MFCD08444093
Product Description
Catalog Number:
AG019P75
Chemical Name:
7-methoxy-4-(pyridin-3-yl)quinoline-2-thiol
CAS Number:
878466-15-0
Molecular Formula:
C15H12N2OS
Molecular Weight:
268.3336
MDL Number:
MFCD08444093
IUPAC Name:
7-methoxy-4-pyridin-3-yl-1H-quinoline-2-thione
InChI:
InChI=1S/C15H12N2OS/c1-18-11-4-5-12-13(10-3-2-6-16-9-10)8-15(19)17-14(12)7-11/h2-9H,1H3,(H,17,19)
InChI Key:
QSAGBKVIOLUOMR-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc(cc2c1cccnc1)S
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.334g/mol
Monoisotopic Mass:
268.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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