6-(4-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
TL;DR: 6-(4-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 33166-87-9) is a chemical compound with molecular formula C11H10N2O2S and molecular weight 234.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 6-(4-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 2-mercapto-6-(4-methoxyphenyl)pyrimidin-4(3H)-one, 6-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidin-4-one, 6-(4-Methoxyphenyl)-2-thiouracil, 4-Hydroxy-2-mercapto-6-(4-methoxyphenyl)pyrimidine
| Molecular Formula | C11H10N2O2S |
|---|---|
| Molecular Weight | 234.05 g/mol |
| LogP | 2.10809 |
| Topological Polar Surface Area | 57.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.0463 |
| Heavy Atoms | 16 |
| Complexity | 570.1219 |
Chemical Identifiers
| CAS Number | 33166-87-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC(=O)NC(=S)N2 |
Product Overview
6-(4-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 33166-87-9), with molecular formula C11H10N2O2S and molecular weight 234.05 g/mol. IUPAC: 6-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 6-(4-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Property Insights of 6-(4-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
The XLogP value of 2.10809 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(4-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. With a topological polar surface area (TPSA) of 57.88 Ų, 6-(4-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(4-methoxyphenyl)-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-(4-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The CAS number of 6-(4-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 33166-87-9.
What is the molecular formula of 6-(4-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular formula of 6-(4-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is C11H10N2O2S.
What is the molecular weight of 6-(4-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular weight of 6-(4-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 234.05 g/mol.
Where can I buy 6-(4-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
You can request a quote for 6-(4-methoxyphenyl)-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-(4-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.