2-Ethylthiophenylboronic acid

C₈H₁₁BO₂SCAS 362045-33-8182.04 g/mol

Open in Covalent MOL file

Boronic acid Sulfide

Properties

Molecular formula: C₈H₁₁BO₂S
Molar mass: 182.04 g/mol
Exact mass: 182.0573 Da
logP: 0.48Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

362045-33-8

SMILES

B(C1=CC=CC=C1SCC)(O)O

InChIKey

SCGSNVLNGRYSAA-UHFFFAOYSA-N

InChI

InChI=1S/C8H11BO2S/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6,10-11H,2H2,1H3

Weigh it out

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

Names and synonyms

1 names

(2-Ethylthiophenyl)boronic acid

Work with 2-Ethylthiophenylboronic 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-Methylsulfanylphenylboronic acid168618-42-658 % similar 2-Ethylphenylboronic Acid (contains varying amounts of Anhydride)90002-36-148 % similar Thianthrene-1-boronic acid108847-76-346 % similar (2-Ethoxyphenyl)boronic acid213211-69-944 % similar 2-Methylphenylboronic acid16419-60-644 % similar Ethyl phenyl sulfide622-38-842 % similar 2-Hydroxymethylphenylboronic acid87199-14-241 % similar (2-Bromophenyl)boronic acid244205-40-141 % similar

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

Same formula

4-(Ethylthio)benzeneboronic acid145349-76-4

Elsewhere

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