chempirical

2-Thienylboronic acid

C4H5BO2SCAS 6165-68-0127.95 g/mol

Open in Covalent MOL file
HOBHOS
Boronic acid

Properties

Molecular formula
C4H5BO2S
Molar mass
127.95 g/mol
Exact mass
128.0103 Da
Melting point
134 °C
logP
-0.57Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
6165-68-0
SMILES
OB(O)c1cccs1
InChIKey
ARYHTUPFQTUBBG-UHFFFAOYSA-N
InChI
InChI=1S/C4H5BO2S/c6-5(7)4-2-1-3-8-4/h1-3,6-7H

Weigh it out

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

Names and synonyms

7 names
  • Boronic acid, B-2-thienyl-
  • 2-Thiopheneboronic acid
  • Boronic acid, 2-thienyl-
  • B-2-Thienylboronic acid
  • 2-Thienylboric acid
  • Thien-5-ylboronic acid
  • 2-Thiopheneboric acid

Work with 2-Thienylboronic 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-Bromothiophene1003-09-440 % similar 2,2'-Bithiophene492-97-739 % similar 5-Methyl-2-thiopheneboronic acid162607-20-738 % similar B-(2-Chloro-3-thienyl)boronic acid177734-82-637 % similar Phenylboronic acid98-80-636 % similar Furan-2-boronic acid13331-23-236 % similar 2-Thiophenemethanol636-72-636 % similar Tris(2-thienyl)phosphine24171-89-935 % similar

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

Same formula

3-Thienylboronic acid6165-69-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook