6-(pyridin-4-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
TL;DR: 6-(pyridin-4-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 37039-71-7) is a chemical compound with molecular formula C9H7N3OS and molecular weight 205.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-pyridin-4-yl-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 6-(4-pyridyl)-2-thiouracil, 4-(4'-Pyridyl)-2-thiouracil, 6-pyridin-4-yl-2-sulfanylidene-1H-pyrimidin-4-one, 6-(pyridin-4-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 6-pyridin-4-yl-2-thioxo-2,3-dihydropyrimidin-4(1{H})-one
| Molecular Formula | C9H7N3OS |
|---|---|
| Molecular Weight | 205.03 g/mol |
| LogP | 1.49449 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.03099 |
| Heavy Atoms | 14 |
| Complexity | 515.4787 |
Chemical Identifiers
| CAS Number | 37039-71-7 |
|---|---|
| SMILES | C1=CN=CC=C1C2=CC(=O)NC(=S)N2 |
Product Overview
6-(pyridin-4-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 37039-71-7), with molecular formula C9H7N3OS and molecular weight 205.03 g/mol. IUPAC: 6-pyridin-4-yl-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 6-(pyridin-4-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Property Insights of 6-(pyridin-4-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
The XLogP value of 1.49449 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(pyridin-4-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. The TPSA of 61.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(pyridin-4-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 6-(pyridin-4-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-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-(pyridin-4-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The CAS number of 6-(pyridin-4-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 37039-71-7.
What is the molecular formula of 6-(pyridin-4-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular formula of 6-(pyridin-4-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is C9H7N3OS.
What is the molecular weight of 6-(pyridin-4-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular weight of 6-(pyridin-4-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 205.03 g/mol.
Where can I buy 6-(pyridin-4-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
You can request a quote for 6-(pyridin-4-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(pyridin-4-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(pyridin-4-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.