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87359-49-7 | 1H-Imidazo[4,5-c]pyridine, 2-[4-methoxy-3-(methylthio)phenyl]-
CAS No: 87359-49-7 Catalog No: AG004O25 MDL No:
Product Description
Catalog Number:
AG004O25
Chemical Name:
1H-Imidazo[4,5-c]pyridine, 2-[4-methoxy-3-(methylthio)phenyl]-
CAS Number:
87359-49-7
Molecular Formula:
C14H13N3OS
Molecular Weight:
271.3375
IUPAC Name:
2-(4-methoxy-3-methylsulfanylphenyl)-3H-imidazo[4,5-c]pyridine
InChI:
InChI=1S/C14H13N3OS/c1-18-12-4-3-9(7-13(12)19-2)14-16-10-5-6-15-8-11(10)17-14/h3-8H,1-2H3,(H,16,17)
InChI Key:
IUVKEMHPIPXDSL-UHFFFAOYSA-N
SMILES:
CSc1cc(ccc1OC)c1nc2c([nH]1)ccnc2
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.078g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.338g/mol
Monoisotopic Mass:
271.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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