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89075-28-5 | 1H-Imidazo[4,5-c]pyridine, 2-[2-ethoxy-4-(methylthio)phenyl]-
CAS No: 89075-28-5 Catalog No: AG0040A7 MDL No:
Product Description
Catalog Number:
AG0040A7
Chemical Name:
1H-Imidazo[4,5-c]pyridine, 2-[2-ethoxy-4-(methylthio)phenyl]-
CAS Number:
89075-28-5
Molecular Formula:
C15H15N3OS
Molecular Weight:
285.3641
IUPAC Name:
2-(2-ethoxy-4-methylsulfanylphenyl)-3H-imidazo[4,5-c]pyridine
InChI:
InChI=1S/C15H15N3OS/c1-3-19-14-8-10(20-2)4-5-11(14)15-17-12-6-7-16-9-13(12)18-15/h4-9H,3H2,1-2H3,(H,17,18)
InChI Key:
IWYNXKASSYULTB-UHFFFAOYSA-N
SMILES:
CCOc1cc(SC)ccc1c1nc2c([nH]1)ccnc2
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:
3.5
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