5-Furfurylidene-2-thiobarbituric acid
TL;DR: 5-Furfurylidene-2-thiobarbituric acid (CAS 27430-18-8) is a chemical compound with molecular formula C9H6N2O3S and molecular weight 222.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 5-Furfurylidene-2-Thiobarbituric Acid, 5-[(Furan-2-yl)methylidene]-4,6-dihydroxy-2,5-dihydropyrimidine-2-thione, SDCCGMLS-0065342.P001, (5-Pyrrolidin-1-ylpyrid-2-yl)methanol, 5-FURFURYLIDENE-2-THIOBARBITURICACID
| Molecular Formula | C9H6N2O3S |
|---|---|
| Molecular Weight | 222.01 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.00992 |
| Heavy Atoms | 15 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 27430-18-8 |
|---|---|
| SMILES | C1=COC(=C1)C=C2C(=O)NC(=S)NC2=O |
| InChIKey | VQRARDATQWRHGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Furfurylidene-2-thiobarbituric acid (CAS 27430-18-8), with molecular formula C9H6N2O3S and molecular weight 222.01 g/mol. IUPAC: 5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-Furfurylidene-2-thiobarbituric acid
Property Insights of 5-Furfurylidene-2-thiobarbituric acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Furfurylidene-2-thiobarbituric acid. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Furfurylidene-2-thiobarbituric acid. Following Lipinski's Rule of Five, 5-Furfurylidene-2-thiobarbituric acid has 2 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 5-Furfurylidene-2-thiobarbituric acid?
The CAS number of 5-Furfurylidene-2-thiobarbituric acid is 27430-18-8.
What is the molecular formula of 5-Furfurylidene-2-thiobarbituric acid?
The molecular formula of 5-Furfurylidene-2-thiobarbituric acid is C9H6N2O3S.
What is the molecular weight of 5-Furfurylidene-2-thiobarbituric acid?
The molecular weight of 5-Furfurylidene-2-thiobarbituric acid is 222.01 g/mol.
Where can I buy 5-Furfurylidene-2-thiobarbituric acid?
You can request a quote for 5-Furfurylidene-2-thiobarbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Furfurylidene-2-thiobarbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Furfurylidene-2-thiobarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.