5-(2-Methyl-propane-2-sulfonyl)-thiophene-2-carboxylic acid
TL;DR: 5-(2-Methyl-propane-2-sulfonyl)-thiophene-2-carboxylic acid (CAS 306293-86-7) is a chemical compound with molecular formula C9H12O4S2 and molecular weight 248.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butylsulfonylthiophene-2-carboxylic acid
Also Known As: ChemDiv3_000972, 5-(2-Methyl-propane-2-sulfonyl)-thiophene-2-carboxylic acid, 5-(tert-butylsulfonyl)thiophene-2-carboxylic acid, 9669AD, BAS 00529313
| Molecular Formula | C9H12O4S2 |
|---|---|
| Molecular Weight | 248.02 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.0177 |
| Heavy Atoms | 15 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 306293-86-7 |
|---|---|
| SMILES | CC(C)(C)S(=O)(=O)C1=CC=C(S1)C(=O)O |
| InChIKey | ICNMIDYXOGQVOC-UHFFFAOYSA-N |
Product Overview
5-(2-Methyl-propane-2-sulfonyl)-thiophene-2-carboxylic acid (CAS 306293-86-7), with molecular formula C9H12O4S2 and molecular weight 248.02 g/mol. IUPAC: 5-tert-butylsulfonylthiophene-2-carboxylic acid.
Chemical Property Profile of 5-(2-Methyl-propane-2-sulfonyl)-thiophene-2-carboxylic acid
Property Insights of 5-(2-Methyl-propane-2-sulfonyl)-thiophene-2-carboxylic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Methyl-propane-2-sulfonyl)-thiophene-2-carboxylic acid. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Methyl-propane-2-sulfonyl)-thiophene-2-carboxylic acid. Following Lipinski's Rule of Five, 5-(2-Methyl-propane-2-sulfonyl)-thiophene-2-carboxylic acid has 1 hydrogen bond donor(s) and 5 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 5-(2-Methyl-propane-2-sulfonyl)-thiophene-2-carboxylic acid?
The CAS number of 5-(2-Methyl-propane-2-sulfonyl)-thiophene-2-carboxylic acid is 306293-86-7.
What is the molecular formula of 5-(2-Methyl-propane-2-sulfonyl)-thiophene-2-carboxylic acid?
The molecular formula of 5-(2-Methyl-propane-2-sulfonyl)-thiophene-2-carboxylic acid is C9H12O4S2.
What is the molecular weight of 5-(2-Methyl-propane-2-sulfonyl)-thiophene-2-carboxylic acid?
The molecular weight of 5-(2-Methyl-propane-2-sulfonyl)-thiophene-2-carboxylic acid is 248.02 g/mol.
Where can I buy 5-(2-Methyl-propane-2-sulfonyl)-thiophene-2-carboxylic acid?
You can request a quote for 5-(2-Methyl-propane-2-sulfonyl)-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 5-(2-Methyl-propane-2-sulfonyl)-thiophene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Methyl-propane-2-sulfonyl)-thiophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.