2-Thiophen-2-ylbutanedioic acid
TL;DR: 2-Thiophen-2-ylbutanedioic acid (CAS 100786-87-6) is a chemical compound with molecular formula C8H8O4S and molecular weight 200.01433 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-thiophen-2-ylbutanedioic acid
Also Known As: 2-thiolsuccinic acid, 2-(2-Thienyl)succinic acid, 2-thiophen-2-ylbutanedioic acid, 2-(thiophen-2-yl)succinic acid, 2-(THIOPHEN-2-YL)BUTANEDIOIC ACID
Technical Specifications
| Molecular Formula | C8H8O4S |
| Molecular Weight | 200.01433 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 200.01433 Da |
| Heavy Atoms | 13 |
| Complexity | 216.0 |
| SMILES | C1=CSC(=C1)C(CC(=O)O)C(=O)O |
| InChIKey | VYDKFRVOLSJYBG-UHFFFAOYSA-N |
Chemical Property Profile of 2-Thiophen-2-ylbutanedioic acid
Property Insights of 2-Thiophen-2-ylbutanedioic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thiophen-2-ylbutanedioic acid. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Thiophen-2-ylbutanedioic acid. Following Lipinski's Rule of Five, 2-Thiophen-2-ylbutanedioic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Thiophen-2-ylbutanedioic acid?
The CAS number of 2-Thiophen-2-ylbutanedioic acid is 100786-87-6.
What is the molecular formula of 2-Thiophen-2-ylbutanedioic acid?
The molecular formula of 2-Thiophen-2-ylbutanedioic acid is C8H8O4S.
What is the molecular weight of 2-Thiophen-2-ylbutanedioic acid?
The molecular weight of 2-Thiophen-2-ylbutanedioic acid is 200.01433 g/mol.
Where can I buy 2-Thiophen-2-ylbutanedioic acid?
You can request a quote for 2-Thiophen-2-ylbutanedioic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Thiophen-2-ylbutanedioic acid?
Yes, CoreyChem provides custom synthesis services for 2-Thiophen-2-ylbutanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.