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Home > Imidazoles > 113121-32-7
113121-32-7 | Imidazo[1,2-b]pyridazin-3(5H)-one, 6-(methylthio)-2-phenyl-
CAS No: 113121-32-7 Catalog No: AG00782T MDL No:
Product Description
Catalog Number:
AG00782T
Chemical Name:
Imidazo[1,2-b]pyridazin-3(5H)-one, 6-(methylthio)-2-phenyl-
CAS Number:
113121-32-7
Molecular Formula:
C13H11N3OS
Molecular Weight:
257.3109
IUPAC Name:
6-methylsulfanyl-2-phenylimidazo[1,2-b]pyridazin-3-ol
InChI:
InChI=1S/C13H11N3OS/c1-18-11-8-7-10-14-12(13(17)16(10)15-11)9-5-3-2-4-6-9/h2-8,17H,1H3
InChI Key:
RHHVJGKZHNGEND-UHFFFAOYSA-N
SMILES:
CSc1ccc2n([nH]1)c(=O)c(n2)c1ccccc1
Properties
Complexity:
285
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:
1
Isotope Atom Count:
0
Molecular Weight:
257.311g/mol
Monoisotopic Mass:
257.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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