chempirical

3-Thienylboronic acid

C4H5BO2SCAS 6165-69-1127.95 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
152–154 °C
logP
-0.57Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
6165-69-1
SMILES
OB(O)c1ccsc1
InChIKey
QNMBSXGYAQZCTN-UHFFFAOYSA-N
InChI
InChI=1S/C4H5BO2S/c6-5(7)4-1-2-8-3-4/h1-3,6-7H

Weigh it out

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

Names and synonyms

9 names
  • Boronic acid, B-3-thienyl-
  • 3-Thiopheneboronic acid
  • Boronic acid, 3-thienyl-
  • B-3-Thienylboronic acid
  • 3-Thiophenylboronic acid
  • 3-Thiopheneboric acid
  • Thiophen-3-boronic acid
  • (Thiophene-3-yl)boronic acid
  • Thiophen-3-ylboronic acid

Work with 3-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

Phenylboronic acid98-80-642 % similar (4-Hydroxyphenyl)boronic acid71597-85-838 % similar (3,5-Diphenylphenyl)boronic acid128388-54-538 % similar 3,5-Dibromobenzeneboronic acid117695-55-337 % similar (3,5-Difluorophenyl)boronic acid156545-07-237 % similar (4-Chlorophenyl)boronic acid1679-18-137 % similar (3,5-Dimethylphenyl)boronic acid172975-69-837 % similar (4-Fluorophenyl)boronic acid1765-93-137 % similar

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

Same formula

2-Thienylboronic acid6165-68-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook