5-Acetylthiophene-2-carboxylic acid
TL;DR: 5-Acetylthiophene-2-carboxylic acid (CAS 114774-09-3) is a chemical compound with molecular formula C7H6O3S and molecular weight 170.00377 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-acetylthiophene-2-carboxylic acid
Also Known As: 5-acetylthiophene-2-carboxylic acid, Arotinolol Impurity 9, PHENYLHYDRAZINE, 5-Carboxy-2-acetylthiophene, 2-Thiophenecarboxylic acid, 5-acetyl-
Technical Specifications
| Molecular Formula | C7H6O3S |
| Molecular Weight | 170.00377 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 82.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.00377 Da |
| Heavy Atoms | 11 |
| Complexity | 190.0 |
| SMILES | CC(=O)C1=CC=C(S1)C(=O)O |
| InChIKey | LIKIMWYKJUFVJP-UHFFFAOYSA-N |
Chemical Property Profile of 5-Acetylthiophene-2-carboxylic acid
Property Insights of 5-Acetylthiophene-2-carboxylic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetylthiophene-2-carboxylic acid. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Acetylthiophene-2-carboxylic acid. Following Lipinski's Rule of Five, 5-Acetylthiophene-2-carboxylic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Acetylthiophene-2-carboxylic acid?
The CAS number of 5-Acetylthiophene-2-carboxylic acid is 114774-09-3.
What is the molecular formula of 5-Acetylthiophene-2-carboxylic acid?
The molecular formula of 5-Acetylthiophene-2-carboxylic acid is C7H6O3S.
What is the molecular weight of 5-Acetylthiophene-2-carboxylic acid?
The molecular weight of 5-Acetylthiophene-2-carboxylic acid is 170.00377 g/mol.
Where can I buy 5-Acetylthiophene-2-carboxylic acid?
You can request a quote for 5-Acetylthiophene-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Acetylthiophene-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 5-Acetylthiophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.