Dibenzothiophene-2-boronic acid

• CAS: 668983-97-9
• Catalog Number: ACM668983979
• Category: Boronic Acids
• Molecular Weight: 228.07
• Molecular Formula: C₁₂H₉BO₂S
• Synonyms: DIBENZO[B,D]THIEN-2-YLBORONIC ACID;DIBENZO[B,D]THIOPHEN-2-YLBORONIC ACID;DIBENZOTHIOPHENE-2-BORONIC ACID;CHEMBRDG-BB 3200967;IFLAB-BB F1371-0134
• IUPAC Name: dibenzothiophen-2-ylboronic acid
• SMILES: B(C1=CC2=C(C=C1)SC3=CC=CC=C32)(O)O
• InChI Key: CSLSCVHILGCSTE-UHFFFAOYSA-N
• Boiling Point: 480.2ºC at 760 mmHg
• Flash Point: 244.2ºC
• Density: 1.38g/cm³
• Exact Mass: 228.04200
• H-Bond Acceptor: 3
• H-Bond Donor: 2

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is dibenzothiophen-2-ylboronic acid.

What is the molecular formula of the compound?

The molecular formula of the compound is C12H9BO2S.

What is the molecular weight of the compound?

The molecular weight of the compound is 228.08 g/mol.

What is the CAS number of the compound?

The CAS number of the compound is 668983-97-9.

What is the EC number of the compound?

The EC number of the compound is 688-282-7.

What is the ChEMBL ID of the compound?

The ChEMBL ID of the compound is CHEMBL5192855.

How many hydrogen bond donor counts does the compound have?

The compound has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 3 hydrogen bond acceptor counts.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 68.7 Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.