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Home > Imidazoles > 89574-57-2
89574-57-2 | 1H-Imidazo[4,5-b]pyridine, 2-[3-(methylthio)-2-naphthalenyl]-
CAS No: 89574-57-2 Catalog No: AG003XWZ MDL No:
Product Description
Catalog Number:
AG003XWZ
Chemical Name:
1H-Imidazo[4,5-b]pyridine, 2-[3-(methylthio)-2-naphthalenyl]-
CAS Number:
89574-57-2
Molecular Formula:
C17H13N3S
Molecular Weight:
291.3702
IUPAC Name:
2-(3-methylsulfanylnaphthalen-2-yl)-1H-imidazo[4,5-b]pyridine
InChI:
InChI=1S/C17H13N3S/c1-21-15-10-12-6-3-2-5-11(12)9-13(15)16-19-14-7-4-8-18-17(14)20-16/h2-10H,1H3,(H,18,19,20)
InChI Key:
SZPJMBWKUTZTFJ-UHFFFAOYSA-N
SMILES:
CSc1cc2ccccc2cc1c1[nH]c2c(n1)nccc2
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.083g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.372g/mol
Monoisotopic Mass:
291.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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