Thiophene-3-carboxylic acid
TL;DR: Thiophene-3-carboxylic acid (CAS 88-13-1) is a chemical compound with molecular formula C5H4O2S and molecular weight 127.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thiophene-3-carboxylic acid
Also Known As: Thiophene-3-carboxylic acid, 3-Thiophenecarboxylic acid, 3-Thenoic acid, 3-thiophenezoic acid, beta-Thiophenic acid
| Molecular Formula | C5H4O2S |
|---|---|
| Molecular Weight | 127.99 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 127.9932 |
| Heavy Atoms | 8 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 88-13-1 |
|---|---|
| SMILES | C1=CSC=C1C(=O)O |
| InChIKey | YNVOMSDITJMNET-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiophene-3-carboxylic acid (CAS 88-13-1), with molecular formula C5H4O2S and molecular weight 127.99 g/mol. IUPAC: thiophene-3-carboxylic acid.
Chemical Property Profile of Thiophene-3-carboxylic acid
Property Insights of Thiophene-3-carboxylic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiophene-3-carboxylic acid. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiophene-3-carboxylic acid. Following Lipinski's Rule of Five, Thiophene-3-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 Thiophene-3-carboxylic acid?
The CAS number of Thiophene-3-carboxylic acid is 88-13-1.
What is the molecular formula of Thiophene-3-carboxylic acid?
The molecular formula of Thiophene-3-carboxylic acid is C5H4O2S.
What is the molecular weight of Thiophene-3-carboxylic acid?
The molecular weight of Thiophene-3-carboxylic acid is 127.99 g/mol.
Where can I buy Thiophene-3-carboxylic acid?
You can request a quote for Thiophene-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 Thiophene-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Thiophene-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.