chempirical

4-Mercaptophenylboronic acid

C6H7BO2SCAS 237429-33-3153.99 g/mol

Open in Covalent MOL file
BSHHOHO
Boronic acidThiol

Properties

Molecular formula
C6H7BO2S
Molar mass
153.99 g/mol
Exact mass
154.0260 Da
logP
-0.34Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
1

Identifiers

CAS number
237429-33-3
SMILES
B(C1=CC=C(C=C1)S)(O)O
InChIKey
AUVSUPMVIZXUOG-UHFFFAOYSA-N
InChI
InChI=1S/C6H7BO2S/c8-7(9)5-1-3-6(10)4-2-5/h1-4,8-10H

Weigh it out

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

Work with 4-Mercaptophenylboronic 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

4,4'-Biphenyldiboronic acid4151-80-857 % similar Pyridine-4-boronic acid1692-15-552 % similar (4-Hydroxyphenyl)boronic acid71597-85-852 % similar (4-Chlorophenyl)boronic acid1679-18-150 % similar (4-Fluorophenyl)boronic acid1765-93-150 % similar (4-Bromophenyl)boronic acid5467-74-350 % similar p-Tolylboronic acid5720-05-850 % similar 1,4-Benzenedithiol624-39-550 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook