2-[[4-(3-methoxypropoxy)-3-methyl-1-oxidopyridin-1-ium-2-yl]methylsulfinyl]-1H-benzimidazole


Chemical Name: 2-[[4-(3-methoxypropoxy)-3-methyl-1-oxidopyridin-1-ium-2-yl]methylsulfinyl]-1H-benzimidazole
CAS Number: 924663-38-7
Product Number: AG00GXUC(AGN-PC-00SY68)
Synonyms:
MDL No:
Molecular Formula: C18H21N3O4S
Molecular Weight: 375.44204

Identification/Properties


Properties
MP:
>148°C (dec.)
Storage:
-10 ℃;Inert atmosphere;
Form:
Solid
Computed Properties
Molecular Weight:
375.443g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
8
Exact Mass:
375.125g/mol
Monoisotopic Mass:
375.125g/mol
Topological Polar Surface Area:
109A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
470
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



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