chempirical

B-(2-Chloro-3-thienyl)boronic acid

C4H4BClO2SCAS 177734-82-6162.39 g/mol

Open in Covalent MOL file
HOBHOSCl
Aryl halideBoronic acid

Properties

Molecular formula
C4H4BClO2S
Molar mass
162.39 g/mol
Exact mass
161.9714 Da
logP
0.08Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
177734-82-6
SMILES
OB(O)c1ccsc1Cl
InChIKey
JWVLMZZYJOJCTI-UHFFFAOYSA-N
InChI
InChI=1S/C4H4BClO2S/c6-4-3(5(7)8)1-2-9-4/h1-2,7-8H

Weigh it out

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

Names and synonyms

7 names
  • Boronic acid, B-(2-chloro-3-thienyl)-
  • Boronic acid, (2-chloro-3-thienyl)-
  • (2-Chlorothiophen-3-yl)dihydroxyborane
  • 2-Chloro-3-thiopheneboronic acid
  • (2-Chloro-3-thienyl)boronic acid
  • (2-Chlorothien-3-yl)boronic acid
  • (2-Chlorothiophen-3-yl)boronic acid

Work with B-(2-Chloro-3-thienyl)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

Similar compounds

2-Chloro-3-methylthiophene14345-97-241 % similar (2,3-Dichlorophenyl)boronic acid151169-74-338 % similar B-(2,3,4-Trichlorophenyl)boronic acid352530-21-338 % similar 2-Thienylboronic acid6165-68-037 % similar (2,3-Difluorophenyl)boronic acid121219-16-736 % similar 2,3-Dimethylphenylboronic acid183158-34-136 % similar (1-Benzothiophen-3-yl)boronic acid113893-08-635 % similar B-(4-Chloro-3-pyridinyl)boronic acid452972-10-035 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Chlorothiophene-2-boronic acid162607-18-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook