Benzo(b)thiophene-2-carboxylic acid
TL;DR: Benzo(b)thiophene-2-carboxylic acid (CAS 6314-28-9) is a chemical compound with molecular formula C9H6O2S and molecular weight 178.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzothiophene-2-carboxylic acid
Also Known As: Benzo[b]thiophene-2-carboxylic acid, tnca, Thianaphthene-2-carboxylic acid, 1-Benzothiophene-2-carboxylic acid, Benzo(b)thiophene-2-carboxylic acid
| Molecular Formula | C9H6O2S |
|---|---|
| Molecular Weight | 178.01 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.00885 |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 6314-28-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(S2)C(=O)O |
| InChIKey | DYSJMQABFPKAQM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzo(b)thiophene-2-carboxylic acid (CAS 6314-28-9), with molecular formula C9H6O2S and molecular weight 178.01 g/mol. IUPAC: 1-benzothiophene-2-carboxylic acid.
Chemical Property Profile of Benzo(b)thiophene-2-carboxylic acid
Property Insights of Benzo(b)thiophene-2-carboxylic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo(b)thiophene-2-carboxylic acid. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo(b)thiophene-2-carboxylic acid. Following Lipinski's Rule of Five, Benzo(b)thiophene-2-carboxylic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzo(b)thiophene-2-carboxylic acid?
The CAS number of Benzo(b)thiophene-2-carboxylic acid is 6314-28-9.
What is the molecular formula of Benzo(b)thiophene-2-carboxylic acid?
The molecular formula of Benzo(b)thiophene-2-carboxylic acid is C9H6O2S.
What is the molecular weight of Benzo(b)thiophene-2-carboxylic acid?
The molecular weight of Benzo(b)thiophene-2-carboxylic acid is 178.01 g/mol.
Where can I buy Benzo(b)thiophene-2-carboxylic acid?
You can request a quote for Benzo(b)thiophene-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(b)thiophene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)thiophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.