2-[dideuterio-[6-deuterio-4-(trideuteriomethoxy)-3,5-bis(trideuteriomethyl)pyridin-2-yl]methyl]sulfinyl-6-(trideuteriomethoxy)-1H-benzimidazole


Chemical Name: 2-[dideuterio-[6-deuterio-4-(trideuteriomethoxy)-3,5-bis(trideuteriomethyl)pyridin-2-yl]methyl]sulfinyl-6-(trideuteriomethoxy)-1H-benzimidazole
CAS Number: 73590-58-6
Product Number: AG003THE(AGN-PC-00TV5D)
Synonyms:
MDL No: MFCD00083192
Molecular Formula: C17H19N3O3S
Molecular Weight: 345.4161

Identification/Properties


Properties
MP:
156°C
BP:
600°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Solubility:
H2O: 0.5 mg/mL
Computed Properties
Molecular Weight:
345.417g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
5
Exact Mass:
345.115g/mol
Monoisotopic Mass:
345.115g/mol
Topological Polar Surface Area:
96.3A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
453
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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