chempirical

4-Methylthiophene-2-boronic acid

C5H7BO2SCAS 162607-15-0141.98 g/mol

Open in Covalent MOL file
BSHOHO
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
162607-15-0
SMILES
B(C1=CC(=CS1)C)(O)O
InChIKey
DFUMIZDUIJNUJU-UHFFFAOYSA-N
InChI
InChI=1S/C5H7BO2S/c1-4-2-5(6(7)8)9-3-4/h2-3,7-8H,1H3

Weigh it out

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

Work with 4-Methylthiophene-2-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

2,4-Dimethylthiophene638-00-644 % similar (3,5-Dimethylphenyl)boronic acid172975-69-843 % similar P-Tolylboronic acid5720-05-838 % similar 3-Methylphenylboronic acid17933-03-838 % similar 2-Thienylboronic acid6165-68-037 % similar B-(2,4-Dimethylphenyl)boronic acid55499-44-036 % similar 2-Acetyl-4-methylthiophene13679-73-735 % similar 2-Ethoxy-5-methylphenylboronic acid123291-97-433 % similar

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

Same formula

5-Methyl-2-thiopheneboronic acid162607-20-7 3-Methylthiophene-2-boronic acid177735-09-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook