6-(2-furyl)-2-thioxo-2,3-dihydropyrimidin-4(1{H})-one
TL;DR: 6-(2-furyl)-2-thioxo-2,3-dihydropyrimidin-4(1{H})-one (CAS 680623-57-8) is a chemical compound with molecular formula C8H6N2O2S and molecular weight 194.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(furan-2-yl)-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 6-(2-furyl)-2-thioxo-2,3-dihydropyrimidin-4(1{H})-one, 6-(furan-2-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 6-(furan-2-yl)-2-sulfanylpyrimidin-4-ol, 6-(2-furyl)-2-sulfanylpyrimidin-4-ol, 6-(furan-2-yl)-2-sulfanylidene-1H-pyrimidin-4-one
| Molecular Formula | C8H6N2O2S |
|---|---|
| Molecular Weight | 194.01 g/mol |
| LogP | 1.69249 |
| Topological Polar Surface Area | 61.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.015 |
| Heavy Atoms | 13 |
| Complexity | 481.18546 |
Chemical Identifiers
| CAS Number | 680623-57-8 |
|---|---|
| SMILES | C1=COC(=C1)C2=CC(=O)NC(=S)N2 |
Product Overview
6-(2-furyl)-2-thioxo-2,3-dihydropyrimidin-4(1{H})-one (CAS 680623-57-8), with molecular formula C8H6N2O2S and molecular weight 194.01 g/mol. IUPAC: 6-(furan-2-yl)-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 6-(2-furyl)-2-thioxo-2,3-dihydropyrimidin-4(1{H})-one
Property Insights of 6-(2-furyl)-2-thioxo-2,3-dihydropyrimidin-4(1{H})-one
The XLogP value of 1.69249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(2-furyl)-2-thioxo-2,3-dihydropyrimidin-4(1{H})-one. The TPSA of 61.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(2-furyl)-2-thioxo-2,3-dihydropyrimidin-4(1{H})-one. Following Lipinski's Rule of Five, 6-(2-furyl)-2-thioxo-2,3-dihydropyrimidin-4(1{H})-one 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 6-(2-furyl)-2-thioxo-2,3-dihydropyrimidin-4(1{H})-one?
The CAS number of 6-(2-furyl)-2-thioxo-2,3-dihydropyrimidin-4(1{H})-one is 680623-57-8.
What is the molecular formula of 6-(2-furyl)-2-thioxo-2,3-dihydropyrimidin-4(1{H})-one?
The molecular formula of 6-(2-furyl)-2-thioxo-2,3-dihydropyrimidin-4(1{H})-one is C8H6N2O2S.
What is the molecular weight of 6-(2-furyl)-2-thioxo-2,3-dihydropyrimidin-4(1{H})-one?
The molecular weight of 6-(2-furyl)-2-thioxo-2,3-dihydropyrimidin-4(1{H})-one is 194.01 g/mol.
Where can I buy 6-(2-furyl)-2-thioxo-2,3-dihydropyrimidin-4(1{H})-one?
You can request a quote for 6-(2-furyl)-2-thioxo-2,3-dihydropyrimidin-4(1{H})-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(2-furyl)-2-thioxo-2,3-dihydropyrimidin-4(1{H})-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(2-furyl)-2-thioxo-2,3-dihydropyrimidin-4(1{H})-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.