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

Hazards

Warning
Irritant (GHS07)

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

2,5-Thiophenediylbisboronic acid26076-46-050 % similar Thiophene-2-boronic acid pinacol ester193978-23-342 % similar 2-Bromothiophene1003-09-440 % similar Thiophen-2-ol17236-58-740 % similar 2,2′-Bithiophene492-97-739 % similar Benzo[B]thien-2-ylboronic acid98437-23-139 % similar 5-Bromo-2-thiopheneboronic Acid (contains varying amounts of Anhydride)162607-17-238 % similar 5-Chlorothiophene-2-boronic acid162607-18-338 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Thiophene-3-boronic acid6165-69-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook