2-Thiophen-2-ylbut-2-enedioic acid
TL;DR: 2-Thiophen-2-ylbut-2-enedioic acid (CAS 339016-61-4) is a chemical compound with molecular formula C8H6O4S and molecular weight 198.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-thiophen-2-ylbut-2-enedioic acid
Also Known As: 2-(2-thienyl)-2-butenedioic acid, 2-thiophen-2-ylbut-2-enedioic Acid, 2-(thiophen-2-yl)but-2-enedioic acid
| Molecular Formula | C8H6O4S |
|---|---|
| Molecular Weight | 198.00 g/mol |
| LogP | 1.3007 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.99867 |
| Heavy Atoms | 13 |
| Complexity | 350.23074 |
Chemical Identifiers
| CAS Number | 339016-61-4 |
|---|---|
| SMILES | C1=CSC(=C1)C(=CC(=O)O)C(=O)O |
Product Overview
2-Thiophen-2-ylbut-2-enedioic acid (CAS 339016-61-4), with molecular formula C8H6O4S and molecular weight 198.00 g/mol. IUPAC: 2-thiophen-2-ylbut-2-enedioic acid.
Chemical Property Profile of 2-Thiophen-2-ylbut-2-enedioic acid
Property Insights of 2-Thiophen-2-ylbut-2-enedioic acid
The XLogP value of 1.3007 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thiophen-2-ylbut-2-enedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Thiophen-2-ylbut-2-enedioic acid. Following Lipinski's Rule of Five, 2-Thiophen-2-ylbut-2-enedioic acid has 2 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 2-Thiophen-2-ylbut-2-enedioic acid?
The CAS number of 2-Thiophen-2-ylbut-2-enedioic acid is 339016-61-4.
What is the molecular formula of 2-Thiophen-2-ylbut-2-enedioic acid?
The molecular formula of 2-Thiophen-2-ylbut-2-enedioic acid is C8H6O4S.
What is the molecular weight of 2-Thiophen-2-ylbut-2-enedioic acid?
The molecular weight of 2-Thiophen-2-ylbut-2-enedioic acid is 198.00 g/mol.
Where can I buy 2-Thiophen-2-ylbut-2-enedioic acid?
You can request a quote for 2-Thiophen-2-ylbut-2-enedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thiophen-2-ylbut-2-enedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiophen-2-ylbut-2-enedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.