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The molecular formula is C7H9BO2S.
The molecular weight is 168.03 g/mol.
The IUPAC Name is (2-methylsulfanylphenyl)boronic acid.
The InChI is InChI=1S/C7H9BO2S/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5,9-10H,1H3.
The InChIKey is QXBWTYBCNFKURT-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC=CC=C1SC)(O)O.
The CAS number is 168618-42-6.
The ChEMBL ID is CHEMBL352894.
The hydrogen bond donor count is 2.
The hydrogen bond acceptor count is 3.
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