Molecule

(2-methylsulfanylphenyl)boronic acid

Chemical Information

Molecular Image

InChI	InChI=1S/C7H9BO2S/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5,9-10H,1H3
SMILES	CSc1ccccc1B(O)O
InChI Key	QXBWTYBCNFKURT-UHFFFAOYSA-N
Exact Mass	168.021 g/mol

5 Related Dataset(s) ⌄

13C nuclear magnetic resonance spectroscopy (13C NMR)

1H nuclear magnetic resonance spectroscopy (1H NMR)

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

1H--1H correlation spectroscopy (1H-1H COSY)

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol7747
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
CHEMBL352894	chembl
24389	surechembl
29367623	surechembl
2773543	pubchem
DTXSID30378542	comptox
Molport-000-139-853	molport
The data in this table is sourced from UniChem at EBI.