3-Methylthiophene-2-boronic acid

C5H7BO2SCAS 177735-09-0141.98 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

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
177735-09-0
SMILES
B(C1=C(C=CS1)C)(O)O
InChIKey
MOOOGTOEKZWEJA-UHFFFAOYSA-N
InChI
InChI=1S/C5H7BO2S/c1-4-2-3-9-5(4)6(7)8/h2-3,7-8H,1H3

Weigh it out

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

Work with 3-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

3-Methylthiophene-2-boronic acid pinacol ester885692-91-148 % similar 3-Formyl-2-thiopheneboronic Acid (contains varying amounts of Anhydride)17303-83-247 % similar 2,3-Dimethylthiophene632-16-644 % similar 2,6-Dimethylphenylboronic acid100379-00-841 % similar 2-Bromo-3-methylthiophene14282-76-941 % similar 2-Chloro-3-methylthiophene14345-97-241 % similar 2,3-Dimethylphenylboronic acid183158-34-141 % similar 2-Methylphenylboronic acid16419-60-640 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methylthiophene-2-boronic acid162607-15-0 5-Methyl-2-thiopheneboronic acid162607-20-7

Elsewhere

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