3-Mercaptophenylboronic acid

• Catalog Number: ACM352526002
• Product Name: 3-Mercaptophenylboronic acid
• CAS: 352526-00-2
• Category: Boronic Acids
• Synonyms: 3-THIOBENZENEBORONIC ACID;3-MERCAPTOPHENYLBORONIC ACID
• IUPAC Name: (2-sulfanylphenyl)boronic acid
• Molecular Weight: 153.99
• Molecular Formula: C₆H₇BO₂S
• Canonical SMILES: B(C1=CC=CC=C1S)(O)O
• InChI Key: RADLTTWFPYPHIV-UHFFFAOYSA-N
• Boiling Point: 345.3ºC at 760 mmHg
• Melting Point: 196-201ºC(lit.)
• Flash Point: 162.6ºC
• Density: 1.27 g/cm³
• Appearance: off-white solid
• Exact Mass: 154.02600
• H-Bond Acceptor: 3
• H-Bond Donor: 3

Custom Q&A

What is the PubChem CID for 3-Mercaptophenylboronic acid?

The PubChem CID for 3-Mercaptophenylboronic acid is 2773922.

What is the molecular formula of 3-Mercaptophenylboronic acid?

The molecular formula of 3-Mercaptophenylboronic acid is C6H7BO2S.

What is the molecular weight of 3-Mercaptophenylboronic acid?

The molecular weight of 3-Mercaptophenylboronic acid is 154.00 g/mol.

What is the IUPAC Name of 3-Mercaptophenylboronic acid?

The IUPAC Name of 3-Mercaptophenylboronic acid is (3-sulfanylphenyl)boronic acid.

What is the InChI of 3-Mercaptophenylboronic acid?

The InChI of 3-Mercaptophenylboronic acid is InChI=1S/C6H7BO2S/c8-7(9)5-2-1-3-6(10)4-5/h1-4,8-10H.

What is the InChIKey of 3-Mercaptophenylboronic acid?

The InChIKey of 3-Mercaptophenylboronic acid is OBCKMTLUSKYKIW-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Mercaptophenylboronic acid?

The canonical SMILES of 3-Mercaptophenylboronic acid is B(C1=CC(=CC=C1)S)(O)O.

What is the CAS number of 3-Mercaptophenylboronic acid?

The CAS number of 3-Mercaptophenylboronic acid is 352526-01-3.

What is the EC number of 3-Mercaptophenylboronic acid?

The EC number of 3-Mercaptophenylboronic acid is 808-135-4.

Is 3-Mercaptophenylboronic acid considered as a canonicalized compound?

Yes, 3-Mercaptophenylboronic acid is considered as a canonicalized compound.