5-Methyl-2-thiopheneboronic acid

C₅H₇BO₂SCAS 162607-20-7141.98 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

Warning

H302 Harmful if swallowed11.1% of notifiers
H312 Harmful in contact with skin11.1% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled11.1% of notifiers
H335 May cause respiratory irritation88.9% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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-Thiophenediylbisboronic acid26076-46-067 % similar 5-Bromo-2-thiopheneboronic Acid (contains varying amounts of Anhydride)162607-17-250 % similar 5-Chlorothiophene-2-boronic acid162607-18-350 % similar 2,5-Dimethylthiophene638-02-850 % similar 5-Acetyl-2-thiopheneboronic acid206551-43-145 % similar (5-Cyanothiophen-2-yl)boronic acid305832-67-145 % similar 5-Formyl-2-thiopheneboronic acid4347-33-545 % similar 5-Carboxythiophene-2-boronic acid465515-31-542 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methylthiophene-2-boronic acid162607-15-0 3-Methylthiophene-2-boronic acid177735-09-0

Elsewhere

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