2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one
TL;DR: 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one (CAS 721419-85-8) is a chemical compound with molecular formula C10H8N2O2S2 and molecular weight 252.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one
Also Known As: 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one, 2-[(4-hydroxypyrimidin-2-yl)sulfanyl]-1-(thiophen-2-yl)ethanone
| Molecular Formula | C10H8N2O2S2 |
|---|---|
| Molecular Weight | 252.00 g/mol |
| LogP | 1.8064 |
| Topological Polar Surface Area | 62.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.00272 |
| Heavy Atoms | 16 |
| Complexity | 533.75696 |
Chemical Identifiers
| CAS Number | 721419-85-8 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)CSC2=NC=CC(=O)N2 |
Product Overview
2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one (CAS 721419-85-8), with molecular formula C10H8N2O2S2 and molecular weight 252.00 g/mol. IUPAC: 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one.
Chemical Property Profile of 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one
Property Insights of 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one
The XLogP value of 1.8064 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one. The TPSA of 62.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one. Following Lipinski's Rule of Five, 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one has 1 hydrogen bond donor(s) and 5 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 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The CAS number of 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one is 721419-85-8.
What is the molecular formula of 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The molecular formula of 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one is C10H8N2O2S2.
What is the molecular weight of 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The molecular weight of 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one is 252.00 g/mol.
Where can I buy 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one?
You can request a quote for 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.