3-Chlorothiophene-2-carboxylic acid
TL;DR: 3-Chlorothiophene-2-carboxylic acid (CAS 72071-75-1) is a chemical compound with molecular formula C5H3ClO2S and molecular weight 161.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chlorothiophene-2-carboxylic acid
Also Known As: 3-Chlorothiophene-2-carboxylic acid, Chlorothenoic acid, null, Rivaroxaban Impurity 21, chlorothiophenecarboxylic
| Molecular Formula | C5H3ClO2S |
|---|---|
| Molecular Weight | 161.95 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.95422 |
| Heavy Atoms | 9 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 72071-75-1 |
|---|---|
| SMILES | C1=CSC(=C1Cl)C(=O)O |
| InChIKey | BXEAAHIHFFIMIE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chlorothiophene-2-carboxylic acid (CAS 72071-75-1), with molecular formula C5H3ClO2S and molecular weight 161.95 g/mol. IUPAC: 3-chlorothiophene-2-carboxylic acid.
Chemical Property Profile of 3-Chlorothiophene-2-carboxylic acid
Property Insights of 3-Chlorothiophene-2-carboxylic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chlorothiophene-2-carboxylic acid. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chlorothiophene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-Chlorothiophene-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 3-Chlorothiophene-2-carboxylic acid?
The CAS number of 3-Chlorothiophene-2-carboxylic acid is 72071-75-1.
What is the molecular formula of 3-Chlorothiophene-2-carboxylic acid?
The molecular formula of 3-Chlorothiophene-2-carboxylic acid is C5H3ClO2S.
What is the molecular weight of 3-Chlorothiophene-2-carboxylic acid?
The molecular weight of 3-Chlorothiophene-2-carboxylic acid is 161.95 g/mol.
Where can I buy 3-Chlorothiophene-2-carboxylic acid?
You can request a quote for 3-Chlorothiophene-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 3-Chlorothiophene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Chlorothiophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.