1H-Benzimidazole,2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]sulfinyl]-


Chemical Name: 1H-Benzimidazole,2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]sulfinyl]-
CAS Number: 117976-89-3
Product Number: AG0081D1(AGN-PC-0PB8JS)
Synonyms:
MDL No:
Molecular Formula: C18H21N3O3S
Molecular Weight: 359.4426

Identification/Properties


Computed Properties
Molecular Weight:
359.444g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
8
Exact Mass:
359.13g/mol
Monoisotopic Mass:
359.13g/mol
Topological Polar Surface Area:
96.3A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
440
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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