B-(2,5-Dimethyl-3-thienyl)boronic acid

C6H9BO2SCAS 162607-23-0156.01 g/mol

Open in Covalent MOL file
BOHHOS
Boronic acid

Properties

Molecular formula
C6H9BO2S
Molar mass
156.01 g/mol
Exact mass
156.0416 Da
Melting point
180–183 °C
logP
0.04Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
162607-23-0
SMILES
Cc1cc(B(O)O)c(C)s1
InChIKey
RFQHMNWNEOZRLK-UHFFFAOYSA-N
InChI
InChI=1S/C6H9BO2S/c1-4-3-6(7(8)9)5(2)10-4/h3,8-9H,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • Boronic acid, B-(2,5-dimethyl-3-thienyl)-
  • Boronic acid, (2,5-dimethyl-3-thienyl)-
  • 2,5-Dimethyl-3-thienylboronic acid
  • 2,5-Dimethylthien-3-ylboronic acid
  • (2,5-Dimethylthiophen-3-yl)boronic acid
  • 2,5-Dimethylthiophene-3-boronic acid

Work with B-(2,5-Dimethyl-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

2,3,5-Trimethylthiophene1795-05-746 % similar 5-Methyl-2-thiopheneboronic acid162607-20-742 % similar 2,5-Dimethylthiophene-3-carbaldehyde26421-44-339 % similar 3-Acetyl-2,5-dimethylthiophene2530-10-137 % similar B-(2,4-Dimethylphenyl)boronic acid55499-44-035 % similar (2,5-Dimethylphenyl)boronic acid85199-06-035 % similar 2-Methylphenylboronic acid16419-60-634 % similar 4-Bromo-2,5-dimethylphenylboronic acid130870-00-734 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook