2-Methyl-1,1-dioxo-2,3-dihydro-1H-benzo(b)thiophene-2-carboxylic acid
TL;DR: 2-Methyl-1,1-dioxo-2,3-dihydro-1H-benzo(b)thiophene-2-carboxylic acid (CAS 91634-22-9) is a chemical compound with molecular formula C10H10O4S and molecular weight 226.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1,1-dioxo-3H-1-benzothiophene-2-carboxylic acid
Also Known As: 2-methyl-1,1-dioxo-2,3-dihydro-1, 2-Methyl-2,3-dihydrobenzo[b]thiophene-2-carboxylic acid 1,1-dioxide, 2-methyl-1,1-dioxo-3H-benzothiophene-2-carboxylic Acid, 2-methyl-1,1-dioxo-3H-1-benzothiophene-2-carboxylic acid, 2-METHYL-1,1-DIOXO-2,3-DIHYDRO-1H-BENZO(B)THIOPHENE-2-CARBOXYLIC ACID
| Molecular Formula | C10H10O4S |
|---|---|
| Molecular Weight | 226.03 g/mol |
| LogP | 0.8597 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.02998 |
| Heavy Atoms | 15 |
| Complexity | 532.1083 |
Chemical Identifiers
| CAS Number | 91634-22-9 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2S1(=O)=O)C(=O)O |
Product Overview
2-Methyl-1,1-dioxo-2,3-dihydro-1H-benzo(b)thiophene-2-carboxylic acid (CAS 91634-22-9), with molecular formula C10H10O4S and molecular weight 226.03 g/mol. IUPAC: 2-methyl-1,1-dioxo-3H-1-benzothiophene-2-carboxylic acid.
Chemical Property Profile of 2-Methyl-1,1-dioxo-2,3-dihydro-1H-benzo(b)thiophene-2-carboxylic acid
Property Insights of 2-Methyl-1,1-dioxo-2,3-dihydro-1H-benzo(b)thiophene-2-carboxylic acid
The XLogP value of 0.8597 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-1,1-dioxo-2,3-dihydro-1H-benzo(b)thiophene-2-carboxylic acid. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-1,1-dioxo-2,3-dihydro-1H-benzo(b)thiophene-2-carboxylic acid. Following Lipinski's Rule of Five, 2-Methyl-1,1-dioxo-2,3-dihydro-1H-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 2-Methyl-1,1-dioxo-2,3-dihydro-1H-benzo(b)thiophene-2-carboxylic acid?
The CAS number of 2-Methyl-1,1-dioxo-2,3-dihydro-1H-benzo(b)thiophene-2-carboxylic acid is 91634-22-9.
What is the molecular formula of 2-Methyl-1,1-dioxo-2,3-dihydro-1H-benzo(b)thiophene-2-carboxylic acid?
The molecular formula of 2-Methyl-1,1-dioxo-2,3-dihydro-1H-benzo(b)thiophene-2-carboxylic acid is C10H10O4S.
What is the molecular weight of 2-Methyl-1,1-dioxo-2,3-dihydro-1H-benzo(b)thiophene-2-carboxylic acid?
The molecular weight of 2-Methyl-1,1-dioxo-2,3-dihydro-1H-benzo(b)thiophene-2-carboxylic acid is 226.03 g/mol.
Where can I buy 2-Methyl-1,1-dioxo-2,3-dihydro-1H-benzo(b)thiophene-2-carboxylic acid?
You can request a quote for 2-Methyl-1,1-dioxo-2,3-dihydro-1H-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 2-Methyl-1,1-dioxo-2,3-dihydro-1H-benzo(b)thiophene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1,1-dioxo-2,3-dihydro-1H-benzo(b)thiophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.