3-borono-2-thiophenecarboxylic acid

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Product Information

Molecular Formula:
C5H5BO4S
Molecular Weight:
171.97
Description
3-borono-2-thiophenecarboxylic acid is a potent pharmaceutical intermediate widely used in the biomedicine field. It exhibits promising anti-cancer properties, specifically against breast, prostate, and colon cancers. This versatile compound can also serve as a valuable tool for drug synthesis and development.
Synonyms
2-Carboxythiophene-3-boronic acid; 3-BORONOTHIOPHENE-2-CARBOXYLIC ACID; 3-BORONO-2-THIOPHENECARBOXYLIC ACID; 3-(DIHYDROXYBORANYL)THIOPHENE-2-CARBOXYLIC ACID; 2-Thiophenecarboxylicacid, 3-borono-; SCHEMBL1372166; 2-Carboxy-3-thienylboronic acid; 3-BORONOTHIOPHENE-2-CARBOXYLICACID; 3-(dihydroxyboryl)thiophene-2-carboxylic acid 3-borono-2-thiophenecarboxylic acid
IUPAC Name
3-boronothiophene-2-carboxylic acid
Canonical SMILES
B(C1=C(SC=C1)C(=O)O)(O)O
InChI
InChI=1S/C5H5BO4S/c7-5(8)4-3(6(9)10)1-2-11-4/h1-2,9-10H,(H,7,8)
InChI Key
AJNCKPIBBSWSBY-UHFFFAOYSA-N
Flash Point
Not applicable

Computed Properties

Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
172.0001600 g/mol
Monoisotopic Mass
172.0001600 g/mol
Topological Polar Surface Area
106Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
163
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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