Thiophene-2-carboxylate
TL;DR: Thiophene-2-carboxylate (CAS 20897-85-2) is a chemical compound with molecular formula C5H3O2S- and molecular weight 126.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thiophene-2-carboxylate
Also Known As: Thiophene-2-carboxylate, 2-thienoate, thenat, thiolformate, thiolcarboxylate
| Molecular Formula | C5H3O2S- |
|---|---|
| Molecular Weight | 126.99 g/mol |
| LogP | 0.1116 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.985374 |
| Heavy Atoms | 8 |
| Complexity | 178.31856 |
Chemical Identifiers
| CAS Number | 20897-85-2 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)[O-] |
Product Overview
Thiophene-2-carboxylate (CAS 20897-85-2), with molecular formula C5H3O2S- and molecular weight 126.99 g/mol. IUPAC: thiophene-2-carboxylate.
Chemical Property Profile of Thiophene-2-carboxylate
Property Insights of Thiophene-2-carboxylate
The XLogP value of 0.1116 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiophene-2-carboxylate. With a topological polar surface area (TPSA) of 40.13 Ų, Thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiophene-2-carboxylate has 0 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-2-carboxylate?
The CAS number of Thiophene-2-carboxylate is 20897-85-2.
What is the molecular formula of Thiophene-2-carboxylate?
The molecular formula of Thiophene-2-carboxylate is C5H3O2S-.
What is the molecular weight of Thiophene-2-carboxylate?
The molecular weight of Thiophene-2-carboxylate is 126.99 g/mol.
Where can I buy Thiophene-2-carboxylate?
You can request a quote for Thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.