4-Methylthiophene-2-boronic acid

C₅H₇BO₂SCAS 162607-15-0141.98 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage16.7% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 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, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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-Dimethylphenylboronic acid172975-69-843 % similar 2,4,6-Trimethylbenzeneboronic acid5980-97-240 % similar 2,5-Thiophenediylbisboronic acid26076-46-038 % similar 4-Methyl-2-thiophenecarboxylic acid14282-78-138 % similar Tolylboronic acid5720-05-838 % similar 3-Methylphenylboronic acid17933-03-838 % similar 2-Thienylboronic acid6165-68-037 % 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

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