3-(4-Chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxylic acid
TL;DR: 3-(4-Chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxylic acid (CAS 203189-46-2) is a chemical compound with molecular formula C12H9ClO2S2 and molecular weight 283.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-5-methylsulfanylthiophene-2-carboxylic acid
Also Known As: Thiophene der., Bionet2_000561, 3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxylic acid, 11P-544S, 3-(4-chlorophenyl)-5-(methylsulfanyl)thiophene-2-carboxylic acid
| Molecular Formula | C12H9ClO2S2 |
|---|---|
| Molecular Weight | 283.97 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 90.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.97324 |
| Heavy Atoms | 17 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 203189-46-2 |
|---|---|
| SMILES | CSC1=CC(=C(S1)C(=O)O)C2=CC=C(C=C2)Cl |
| InChIKey | DAMNTURPOFZOON-UHFFFAOYSA-N |
Product Overview
3-(4-Chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxylic acid (CAS 203189-46-2), with molecular formula C12H9ClO2S2 and molecular weight 283.97 g/mol. IUPAC: 3-(4-chlorophenyl)-5-methylsulfanylthiophene-2-carboxylic acid.
Chemical Property Profile of 3-(4-Chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxylic acid
Property Insights of 3-(4-Chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxylic acid
The XLogP value of 4.6 indicates that 3-(4-Chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxylic 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 3-(4-Chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxylic acid. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxylic 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 3-(4-Chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxylic acid?
The CAS number of 3-(4-Chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxylic acid is 203189-46-2.
What is the molecular formula of 3-(4-Chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxylic acid?
The molecular formula of 3-(4-Chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxylic acid is C12H9ClO2S2.
What is the molecular weight of 3-(4-Chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxylic acid?
The molecular weight of 3-(4-Chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxylic acid is 283.97 g/mol.
Where can I buy 3-(4-Chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxylic acid?
You can request a quote for 3-(4-Chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.