5-ethyl-2-ethylthiothiophene-3-carboxylic acid
TL;DR: 5-ethyl-2-ethylthiothiophene-3-carboxylic acid (CAS 5119-17-5) is a chemical compound with molecular formula C9H12O2S2 and molecular weight 216.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-2-ethylsulfanylthiophene-3-carboxylic acid
Also Known As: 5-ethyl-2-ethylthiothiophene-3-carboxylic acid, 5-ethyl-2-(ethylthio)-3-thiophenecarboxylic acid, 2-ethylmercapto-5-ethyl-3-thiophenecarboxylic acid, 5-ethyl-2-ethylsulfanylthiophene-3-carboxylic acid, 5-ETHYL-2-(ETHYLSULFANYL)THIOPHENE-3-CARBOXYLIC ACID
| Molecular Formula | C9H12O2S2 |
|---|---|
| Molecular Weight | 216.03 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 90.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 216.02788 |
| Heavy Atoms | 13 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 5119-17-5 |
|---|---|
| SMILES | CCC1=CC(=C(S1)SCC)C(=O)O |
| InChIKey | XGWBLPLTVALFEI-UHFFFAOYSA-N |
Product Overview
5-ethyl-2-ethylthiothiophene-3-carboxylic acid (CAS 5119-17-5), with molecular formula C9H12O2S2 and molecular weight 216.03 g/mol. IUPAC: 5-ethyl-2-ethylsulfanylthiophene-3-carboxylic acid.
Chemical Property Profile of 5-ethyl-2-ethylthiothiophene-3-carboxylic acid
Property Insights of 5-ethyl-2-ethylthiothiophene-3-carboxylic acid
The XLogP value of 3.2 indicates that 5-ethyl-2-ethylthiothiophene-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-ethyl-2-ethylthiothiophene-3-carboxylic acid. Following Lipinski's Rule of Five, 5-ethyl-2-ethylthiothiophene-3-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
Frequently Asked Questions
What is the CAS number of 5-ethyl-2-ethylthiothiophene-3-carboxylic acid?
The CAS number of 5-ethyl-2-ethylthiothiophene-3-carboxylic acid is 5119-17-5.
What is the molecular formula of 5-ethyl-2-ethylthiothiophene-3-carboxylic acid?
The molecular formula of 5-ethyl-2-ethylthiothiophene-3-carboxylic acid is C9H12O2S2.
What is the molecular weight of 5-ethyl-2-ethylthiothiophene-3-carboxylic acid?
The molecular weight of 5-ethyl-2-ethylthiothiophene-3-carboxylic acid is 216.03 g/mol.
Where can I buy 5-ethyl-2-ethylthiothiophene-3-carboxylic acid?
You can request a quote for 5-ethyl-2-ethylthiothiophene-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 5-ethyl-2-ethylthiothiophene-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-ethyl-2-ethylthiothiophene-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.