2-(Methylsulfanyl)pyridine-3-boronic acid


Chemical Name: 2-(Methylsulfanyl)pyridine-3-boronic acid
CAS Number: 1072944-21-8
Product Number: AG003BK7(AGN-PC-078JTA)
Synonyms:
MDL No:
Molecular Formula: C6H8BNO2S
Molecular Weight: 169.0092

Identification/Properties


Properties
MP:
100℃ (dec.)
BP:
361.5 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
169.005g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
169.037g/mol
Monoisotopic Mass:
169.037g/mol
Topological Polar Surface Area:
78.6A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
125
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
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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