(5-Cyanothiophen-2-yl)boronic acid

C₅H₄BNO₂SCAS 305832-67-1152.96 g/mol

Open in Covalent MOL file

Alcohol Nitrile Sulfide

Properties

Molecular formula: C₅H₄BNO₂S
Molar mass: 152.96 g/mol
Exact mass: 153.0056 Da
logP: -0.70Crippen estimate
Polar surface area: 64.3 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Identifiers

CAS number

305832-67-1

SMILES

N#Cc1ccc(B(O)O)s1

InChIKey

ZEOMEPSYIIQIND-UHFFFAOYSA-N

InChI

InChI=1S/C5H4BNO2S/c7-3-4-1-2-5(10-4)6(8)9/h1-2,8-9H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

Boronic acid, B-(5-cyano-2-thienyl)-
Boronic acid, (5-cyano-2-thienyl)-
B-(5-Cyano-2-thienyl)boronic acid
(5-Cyanothien-2-yl)boronic acid
5-Cyano-2-thiopheneboronic acid
5-Cyanothiophene-2-boronic acid
(2-Cyanothien-5-yl)boronic acid

Work with (5-Cyanothiophen-2-yl)boronic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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