Boronic acid, thienyl-


Chemical Name: Boronic acid, thienyl-
CAS Number: 6165-68-0
Product Number: AG0035P1(AGN-PC-0KK6A5)
Synonyms:
MDL No:
Molecular Formula: C4H5BO2S
Molecular Weight: 127.9573

Identification/Properties


Properties
MP:
138-140 °C(lit.);
BP:
287.9°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Solubility:
Soluble in methanol.
Computed Properties
Molecular Weight:
127.952g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
128.01g/mol
Monoisotopic Mass:
128.01g/mol
Topological Polar Surface Area:
68.7A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
78.4
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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