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87359-47-5 | Phenol, 2-(1H-imidazo[4,5-c]pyridin-2-yl)-5-(methylthio)-
CAS No: 87359-47-5 Catalog No: AG004O26 MDL No:
Product Description
Catalog Number:
AG004O26
Chemical Name:
Phenol, 2-(1H-imidazo[4,5-c]pyridin-2-yl)-5-(methylthio)-
CAS Number:
87359-47-5
Molecular Formula:
C13H11N3OS
Molecular Weight:
257.3109
IUPAC Name:
2-(3H-imidazo[4,5-c]pyridin-2-yl)-5-methylsulfanylphenol
InChI:
InChI=1S/C13H11N3OS/c1-18-8-2-3-9(12(17)6-8)13-15-10-4-5-14-7-11(10)16-13/h2-7,17H,1H3,(H,15,16)
InChI Key:
YNQQWQKNGHLMRX-UHFFFAOYSA-N
SMILES:
CSc1ccc(c(c1)O)c1nc2c([nH]1)ccnc2
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.311g/mol
Monoisotopic Mass:
257.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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