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99487-86-2 | 2-[[[3-Methyl-4-(methylthio)-2-pyridinyl]methyl]sulfinyl]-1H-benzimidazole
CAS No: 99487-86-2 Catalog No: AG01E9AA MDL No:
Product Description
Catalog Number:
AG01E9AA
Chemical Name:
2-[[[3-Methyl-4-(methylthio)-2-pyridinyl]methyl]sulfinyl]-1H-benzimidazole
CAS Number:
99487-86-2
IUPAC Name:
2-[(3-methyl-4-methylsulfanylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole
InChI:
InChI=1S/C15H15N3OS2/c1-10-13(16-8-7-14(10)20-2)9-21(19)15-17-11-5-3-4-6-12(11)18-15/h3-8H,9H2,1-2H3,(H,17,18)
InChI Key:
DENFLHAXXHNAPQ-UHFFFAOYSA-N
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.066g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.425g/mol
Monoisotopic Mass:
317.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Identification, isolation and characterization of new impurity in rabeprazole sodium. | Journal of pharmaceutical and biomedical analysis 20100801 |
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