1,1-Dioxo-1lambda6-benzothiophene-3-carboxylic acid
TL;DR: 1,1-Dioxo-1lambda6-benzothiophene-3-carboxylic acid (CAS 62761-72-2) is a chemical compound with molecular formula C9H6O4S and molecular weight 210.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dioxo-1-benzothiophene-3-carboxylic acid
Also Known As: Benzo[b]thiophene-3-carboxylic acid, 1,1-dioxide, 1,1-dioxo-1-benzothiophene-3-carboxylic acid, 1,1-dioxo-1lambda6-benzothiophene-3-carboxylic acid, 1,1-dioxobenzothiophene-3-carboxylic Acid, 1-benzothiophene-3-carboxylic acid 1,1-dioxide
| Molecular Formula | C9H6O4S |
|---|---|
| Molecular Weight | 210.00 g/mol |
| LogP | 0.8994 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.99867 |
| Heavy Atoms | 14 |
| Complexity | 539.6853 |
Chemical Identifiers
| CAS Number | 62761-72-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CS2(=O)=O)C(=O)O |
Product Overview
1,1-Dioxo-1lambda6-benzothiophene-3-carboxylic acid (CAS 62761-72-2), with molecular formula C9H6O4S and molecular weight 210.00 g/mol. IUPAC: 1,1-dioxo-1-benzothiophene-3-carboxylic acid.
Chemical Property Profile of 1,1-Dioxo-1lambda6-benzothiophene-3-carboxylic acid
Property Insights of 1,1-Dioxo-1lambda6-benzothiophene-3-carboxylic acid
The XLogP value of 0.8994 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dioxo-1lambda6-benzothiophene-3-carboxylic acid. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Dioxo-1lambda6-benzothiophene-3-carboxylic acid. Following Lipinski's Rule of Five, 1,1-Dioxo-1lambda6-benzothiophene-3-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 1,1-Dioxo-1lambda6-benzothiophene-3-carboxylic acid?
The CAS number of 1,1-Dioxo-1lambda6-benzothiophene-3-carboxylic acid is 62761-72-2.
What is the molecular formula of 1,1-Dioxo-1lambda6-benzothiophene-3-carboxylic acid?
The molecular formula of 1,1-Dioxo-1lambda6-benzothiophene-3-carboxylic acid is C9H6O4S.
What is the molecular weight of 1,1-Dioxo-1lambda6-benzothiophene-3-carboxylic acid?
The molecular weight of 1,1-Dioxo-1lambda6-benzothiophene-3-carboxylic acid is 210.00 g/mol.
Where can I buy 1,1-Dioxo-1lambda6-benzothiophene-3-carboxylic acid?
You can request a quote for 1,1-Dioxo-1lambda6-benzothiophene-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dioxo-1lambda6-benzothiophene-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dioxo-1lambda6-benzothiophene-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.