144873-97-2 Purity
96%
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Specification
The PubChem CID of 4-(Ethylthio)phenylboronic acid is 2734353.
The molecular formula of 4-(Ethylthio)phenylboronic acid is C8H11BO2S.
The molecular weight of 4-(Ethylthio)phenylboronic acid is 182.05 g/mol.
The IUPAC name of 4-(Ethylthio)phenylboronic acid is (4-ethylsulfanylphenyl)boronic acid.
The InChI of 4-(Ethylthio)phenylboronic acid is InChI=1S/C8H11BO2S/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6,10-11H,2H2,1H3.
The InChIKey of 4-(Ethylthio)phenylboronic acid is LMUASBOUSAMURX-UHFFFAOYSA-N.
The canonical SMILES of 4-(Ethylthio)phenylboronic acid is B(C1=CC=C(C=C1)SCC)(O)O.
The CAS number of 4-(Ethylthio)phenylboronic acid is 145349-76-4.
Yes, 4-(Ethylthio)phenylboronic acid is a canonicalized compound, according to PubChem.
Reference: [1]Journal of Organic Chemistry,2001,vol. 66,p. 2104 - 2117