3-(Furan-2-yl)-2-thioxopropanoic acid
TL;DR: 3-(Furan-2-yl)-2-thioxopropanoic acid (CAS 4066-13-1) is a chemical compound with molecular formula C7H6O3S and molecular weight 170.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-yl)-2-sulfanylidenepropanoic acid
Also Known As: 3-(furan-2-yl)-2-thioxopropanoic acid, 3-(2-furyl)-2-thioxopropanoic acid, alpha-Thioxo-2-furanpropionic acid, 3-(furan-2-yl)-2-sulfanylidenepropanoic acid, 3-furan-2-yl-2-thioxo-propionic acid
| Molecular Formula | C7H6O3S |
|---|---|
| Molecular Weight | 170.00 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.00377 |
| Heavy Atoms | 11 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 4066-13-1 |
|---|---|
| SMILES | C1=COC(=C1)CC(=S)C(=O)O |
| InChIKey | JWGRZUZKIVHWMX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Furan-2-yl)-2-thioxopropanoic acid (CAS 4066-13-1), with molecular formula C7H6O3S and molecular weight 170.00 g/mol. IUPAC: 3-(furan-2-yl)-2-sulfanylidenepropanoic acid.
Chemical Property Profile of 3-(Furan-2-yl)-2-thioxopropanoic acid
Property Insights of 3-(Furan-2-yl)-2-thioxopropanoic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Furan-2-yl)-2-thioxopropanoic acid. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Furan-2-yl)-2-thioxopropanoic acid. Following Lipinski's Rule of Five, 3-(Furan-2-yl)-2-thioxopropanoic acid has 1 hydrogen bond donor(s) and 4 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-(Furan-2-yl)-2-thioxopropanoic acid?
The CAS number of 3-(Furan-2-yl)-2-thioxopropanoic acid is 4066-13-1.
What is the molecular formula of 3-(Furan-2-yl)-2-thioxopropanoic acid?
The molecular formula of 3-(Furan-2-yl)-2-thioxopropanoic acid is C7H6O3S.
What is the molecular weight of 3-(Furan-2-yl)-2-thioxopropanoic acid?
The molecular weight of 3-(Furan-2-yl)-2-thioxopropanoic acid is 170.00 g/mol.
Where can I buy 3-(Furan-2-yl)-2-thioxopropanoic acid?
You can request a quote for 3-(Furan-2-yl)-2-thioxopropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Furan-2-yl)-2-thioxopropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Furan-2-yl)-2-thioxopropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.