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89075-44-5 | 1H-Imidazo[4,5-c]pyridine, 2-[4-(methylthio)phenyl]-
CAS No: 89075-44-5 Catalog No: AG0040A4 MDL No:
Product Description
Catalog Number:
AG0040A4
Chemical Name:
1H-Imidazo[4,5-c]pyridine, 2-[4-(methylthio)phenyl]-
CAS Number:
89075-44-5
Molecular Formula:
C13H11N3S
Molecular Weight:
241.3115
IUPAC Name:
2-(4-methylsulfanylphenyl)-3H-imidazo[4,5-c]pyridine
InChI:
InChI=1S/C13H11N3S/c1-17-10-4-2-9(3-5-10)13-15-11-6-7-14-8-12(11)16-13/h2-8H,1H3,(H,15,16)
InChI Key:
ZAFBUZHSYWIITP-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1nc2c([nH]1)ccnc2
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.312g/mol
Monoisotopic Mass:
241.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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