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89454-55-7

89454-55-7 | 1H-Imidazo[4,5-b]pyridine, 2-[2-methoxy-4-[(methylthio)methyl]phenyl]-

CAS No: 89454-55-7 Catalog No: AG008882 MDL No:

Product Description

Catalog Number:
AG008882
Chemical Name:
1H-Imidazo[4,5-b]pyridine, 2-[2-methoxy-4-[(methylthio)methyl]phenyl]-
CAS Number:
89454-55-7
Molecular Formula:
C15H15N3OS
Molecular Weight:
285.3641
IUPAC Name:
2-[2-methoxy-4-(methylsulfanylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine
InChI:
InChI=1S/C15H15N3OS/c1-19-13-8-10(9-20-2)5-6-11(13)14-17-12-4-3-7-16-15(12)18-14/h3-8H,9H2,1-2H3,(H,16,17,18)
InChI Key:
KLNGAPFXFGBXNU-UHFFFAOYSA-N
SMILES:
CSCc1ccc(c(c1)OC)c1nc2c([nH]1)cccn2

Properties

Complexity:
318  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.094g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
285.365g/mol
Monoisotopic Mass:
285.094g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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