Benzo[b]thien-2-ylboronic acid

• CAS: 98437-23-1
• Catalog Number: ACM98437231
• Category: Thiophenes
• Molecular Weight: 178.02g/mol
• Molecular Formula: C8H7BO2S
• Synonyms: Benzothiophen-2-ylboronic acid1-Benzothiophene-2-boronic acid
• IUPAC Name: 1-benzothiophen-2-ylboronic acid
• Canonical SMILES: B(C1=CC2=CC=CC=C2S1)(O)O
• InChI: InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H
• InChI Key: YNCYPMUJDDXIRH-UHFFFAOYSA-N
• Melting Point: 256-260 °C
• Appearance: Wihte or Off-White Solid
• Complexity: 165
• Covalently-Bonded Unit Count: 1
• Exact Mass: 178.025981g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 12
• Monoisotopic Mass: 178.025981g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of Benzo[b]thien-2-ylboronic acid?

The molecular formula of Benzo[b]thien-2-ylboronic acid is C8H7BO2S.

What is the molecular weight of Benzo[b]thien-2-ylboronic acid?

The molecular weight of Benzo[b]thien-2-ylboronic acid is 178.02 g/mol.

What are some synonyms for Benzo[b]thien-2-ylboronic acid?

Some synonyms for Benzo[b]thien-2-ylboronic acid include 2-benzothienylboronic acid and BENZO[B]THIOPHENE-2-BORONIC ACID.

What is the IUPAC name of Benzo[b]thien-2-ylboronic acid?

The IUPAC name of Benzo[b]thien-2-ylboronic acid is 1-benzothiophen-2-ylboronic acid.

What is the InChIKey of Benzo[b]thien-2-ylboronic acid?

The InChIKey of Benzo[b]thien-2-ylboronic acid is YNCYPMUJDDXIRH-UHFFFAOYSA-N.

What is the canonical SMILES representation of Benzo[b]thien-2-ylboronic acid?

The canonical SMILES representation of Benzo[b]thien-2-ylboronic acid is B(C1=CC2=CC=CC=C2S1)(O)O.

How many hydrogen bond donor counts does Benzo[b]thien-2-ylboronic acid have?

Benzo[b]thien-2-ylboronic acid has 2 hydrogen bond donor counts.

What is the exact mass of Benzo[b]thien-2-ylboronic acid?

The exact mass of Benzo[b]thien-2-ylboronic acid is 178.0259808 g/mol.

How many rotatable bond counts does Benzo[b]thien-2-ylboronic acid have?

Benzo[b]thien-2-ylboronic acid has 1 rotatable bond count.

Is Benzo[b]thien-2-ylboronic acid a covalently-bonded unit?

Yes, Benzo[b]thien-2-ylboronic acid is a covalently-bonded unit.

Synthetic Use

Upstream Synthesis Route 1

• 121-43-7
• 95-15-8

• 98437-23-1

Reference: [1] Patent: KR2016/2328, 2016, A, . Location in patent: Paragraph 0413-0415

Upstream Synthesis Route 2

• 95-15-8

• 98437-23-1

Reference: [1] Patent: US6342610, 2002, B2, . Location in patent: Page column 112

Downstream Synthesis Route 1

• 50-00-0
• 98437-23-1

• 17890-56-1

Reference: [1] Advanced Synthesis and Catalysis, 2014, vol. 356, # 17, p. 3525 - 3529

* For details of the synthesis route, please refer to the original source to ensure accuracy.