2-Acetyl-3-thienylboronic acid

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Product Information

Molecular Formula
C6H7BO3S
Molecular Weight
170.0
Description
may contain varying amounts of anhydride
Synonyms
2-Acetyl-3-thienylboronic acid
IUPAC Name
(2-acetylthiophen-3-yl)boronic acid
SMILES
B(C1=C(SC=C1)C(=O)C)(O)O
InChI
InChI=1S/C6H7BO3S/c1-4(8)6-5(7(9)10)2-3-11-6/h2-3,9-10H,1H3
InChI Key
QTGPYSQUEPGBHV-UHFFFAOYSA-N
Melting Point
120-130 °C
Purity
95%
Appearance
White to tan powder or crystals
Storage
2-8°C

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
170.0208954 g/mol
Monoisotopic Mass
170.0208954 g/mol
Topological Polar Surface Area
85.8Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
162
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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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