3-ethyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one
TL;DR: 3-ethyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one (CAS 216016-27-2) is a chemical compound with molecular formula C7H7F3N2OS and molecular weight 224.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one
Also Known As: 3-ethyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one, 3-ethyl-2-thioxo-6-(trifluoromethyl)-2,3-dihydro-4(1H)-pyrimidinone, 3-ethyl-2-thioxo-6-(trifluoromethyl)-1H-pyrimidin-4-one, 3-ethyl-2-mercapto-6-trifluoromethyl-4(3H)-pyrimidinone, 3-ethyl-2-sulfanylidene-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidin-4-one
| Molecular Formula | C7H7F3N2OS |
|---|---|
| Molecular Weight | 224.02 g/mol |
| LogP | 1.94459 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.02312 |
| Heavy Atoms | 14 |
| Complexity | 414.22372 |
Chemical Identifiers
| CAS Number | 216016-27-2 |
|---|---|
| SMILES | CCN1C(=O)C=C(NC1=S)C(F)(F)F |
Product Overview
3-ethyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one (CAS 216016-27-2), with molecular formula C7H7F3N2OS and molecular weight 224.02 g/mol. IUPAC: 3-ethyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one.
Chemical Property Profile of 3-ethyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one
Property Insights of 3-ethyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one
The XLogP value of 1.94459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-ethyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one. With a topological polar surface area (TPSA) of 37.79 Ų, 3-ethyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-ethyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one has 1 hydrogen bond donor(s) and 2 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 3-ethyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one?
The CAS number of 3-ethyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one is 216016-27-2.
What is the molecular formula of 3-ethyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one?
The molecular formula of 3-ethyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one is C7H7F3N2OS.
What is the molecular weight of 3-ethyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one?
The molecular weight of 3-ethyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one is 224.02 g/mol.
Where can I buy 3-ethyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one?
You can request a quote for 3-ethyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-ethyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-ethyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.