chempirical

5-Methyl-2-thiopheneboronic acid

C5H7BO2SCAS 162607-20-7141.98 g/mol

Open in Covalent MOL file
BOHOHS
Boronic acid

Properties

Molecular formula
C5H7BO2S
Molar mass
141.98 g/mol
Exact mass
142.0260 Da
logP
-0.26Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
162607-20-7
SMILES
Cc1ccc(B(O)O)s1
InChIKey
NRIYPIBRPGAWDD-UHFFFAOYSA-N
InChI
InChI=1S/C5H7BO2S/c1-4-2-3-5(9-4)6(7)8/h2-3,7-8H,1H3

Weigh it out

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

Names and synonyms

9 names
  • Boronic acid, B-(5-methyl-2-thienyl)-
  • Boronic acid, (5-methyl-2-thienyl)-
  • B-(5-Methyl-2-thienyl)boronic acid
  • (5-Methylthiophen-2-yl)dihydroxyborane
  • (5-Methyl-2-thienyl)boronic acid
  • 2-Methylthienyl-5-boronic acid
  • 2-Methylthiophene-5-boronic acid
  • (5-Methylthien-2-yl)boronic acid
  • (5-Methylthiophen-2-yl)boronic acid

Work with 5-Methyl-2-thiopheneboronic 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-Dimethylthiophene638-02-850 % similar (5-Cyanothiophen-2-yl)boronic acid305832-67-145 % similar 5-Formyl-2-thiopheneboronic acid4347-33-545 % similar B-(2,5-Dimethyl-3-thienyl)boronic acid162607-23-042 % similar 2-Bromo-5-methylthiophene765-58-239 % similar 2-Thienylboronic acid6165-68-038 % similar 5-Methyl-2-thiophenecarboxylic acid1918-79-236 % similar 5-Methyl-2-thiophenecarboxaldehyde13679-70-435 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook