Thianthren-1-ylboronic acid

• CAS: 108847-76-3
• Catalog Number: ACM108847763
• Category: Boronic Acids
• Molecular Weight: 260.14
• Molecular Formula: C₁₂H₉BO₂S₂
• Synonyms: CHEMBRDG-BB 3200985;AKOS BRN-0046;1-THIANTHRENYLBORONIC ACID;RARECHEM AH PB 0030;THIANTHRENE-1-BORONIC ACID;1-Thianthreneboronic acid;Thianthrene-1-Boronic;THIANTHRENE-1-BORONIC ACID: TECH., 90%
• IUPAC Name: thianthren-1-ylboronic acid
• SMILES: B(C1=C2C(=CC=C1)SC3=CC=CC=C3S2)(O)O
• InChI Key: FZEWPLIHPXGNTB-UHFFFAOYSA-N
• Boiling Point: 472.7ºC at 760 mmHg
• Melting Point: 146-149ºC
• Flash Point: 239.7ºC
• Density: 1.48 g/cm³
• Appearance: off-white solid
• Exact Mass: 260.01400
• Hazard Statements: Xi:Irritant
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Safety Description: S26-S37/39
• WGK Germany: 3

Custom Q&A

What is the molecular formula of Thianthren-1-ylboronic acid?

The molecular formula of Thianthren-1-ylboronic acid is C12H9BO2S2.

What is the molecular weight of Thianthren-1-ylboronic acid?

The molecular weight of Thianthren-1-ylboronic acid is 260.1 g/mol.

What is the IUPAC name of Thianthren-1-ylboronic acid?

The IUPAC name of Thianthren-1-ylboronic acid is thianthren-1-ylboronic acid.

What is the InChI of Thianthren-1-ylboronic acid?

The InChI of Thianthren-1-ylboronic acid is InChI=1S/C12H9BO2S2/c14-13(15)8-4-3-7-11-12(8)17-10-6-2-1-5-9(10)16-11/h1-7,14-15H.

What is the InChIKey of Thianthren-1-ylboronic acid?

The InChIKey of Thianthren-1-ylboronic acid is FZEWPLIHPXGNTB-UHFFFAOYSA-N.

What is the canonical SMILES of Thianthren-1-ylboronic acid?

The canonical SMILES of Thianthren-1-ylboronic acid is B(C1=C2C(=CC=C1)SC3=CC=CC=C3S2)(O)O.

What is the CAS number of Thianthren-1-ylboronic acid?

The CAS number of Thianthren-1-ylboronic acid is 108847-76-3.

What is the EC number of Thianthren-1-ylboronic acid?

The EC number of Thianthren-1-ylboronic acid is 681-311-4.

What is the hydrogen bond donor count of Thianthren-1-ylboronic acid?

The hydrogen bond donor count of Thianthren-1-ylboronic acid is 2.

What is the hydrogen bond acceptor count of Thianthren-1-ylboronic acid?

The hydrogen bond acceptor count of Thianthren-1-ylboronic acid is 4.

Synthetic Use

Upstream Synthesis Route 1

• 92-85-3

• 108847-76-3

Reference: [1] Arkivoc, 2012, vol. 2012, # 3, p. 193 - 209

Downstream Synthesis Route 1

• 108847-76-3
• 119671-47-5

• 587871-26-9

Reference: [1] Journal of Medicinal Chemistry, 2007, vol. 50, # 8, p. 1958 - 1972
[2] Patent: US2004/2492, 2004, A1, . Location in patent: Page/Page column 20

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