4-Mercapto-2-(pyrid-3-yl)-6-(trifluoromethyl)pyrimidine
TL;DR: 4-Mercapto-2-(pyrid-3-yl)-6-(trifluoromethyl)pyrimidine (CAS 541550-01-0) is a chemical compound with molecular formula C10H6F3N3S and molecular weight 257.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyridin-3-yl-6-(trifluoromethyl)-1H-pyrimidine-4-thione
Also Known As: 4-Mercapto-2-(pyrid-3-yl)-6-(trifluoromethyl)pyrimidine, 2-(pyridin-3-yl)-6-(trifluoromethyl)pyrimidine-4-thiol, 2-pyridin-3-yl-6-(trifluoromethyl)-1H-pyrimidine-4-thione, 2-(3-pyridyl)-6-(trifluoromethyl)pyrimidine-4-thiol, 2-(3-pyridyl)-6-(trifluoromethyl)-1H-pyrimidine-4-thione
| Molecular Formula | C10H6F3N3S |
|---|---|
| Molecular Weight | 257.02 g/mol |
| LogP | 3.21999 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.02347 |
| Heavy Atoms | 17 |
| Complexity | 577.3403 |
Chemical Identifiers
| CAS Number | 541550-01-0 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2=NC(=S)C=C(N2)C(F)(F)F |
Product Overview
4-Mercapto-2-(pyrid-3-yl)-6-(trifluoromethyl)pyrimidine (CAS 541550-01-0), with molecular formula C10H6F3N3S and molecular weight 257.02 g/mol. IUPAC: 2-pyridin-3-yl-6-(trifluoromethyl)-1H-pyrimidine-4-thione.
Chemical Property Profile of 4-Mercapto-2-(pyrid-3-yl)-6-(trifluoromethyl)pyrimidine
Property Insights of 4-Mercapto-2-(pyrid-3-yl)-6-(trifluoromethyl)pyrimidine
The XLogP value of 3.21999 indicates that 4-Mercapto-2-(pyrid-3-yl)-6-(trifluoromethyl)pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, 4-Mercapto-2-(pyrid-3-yl)-6-(trifluoromethyl)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Mercapto-2-(pyrid-3-yl)-6-(trifluoromethyl)pyrimidine has 1 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 4-Mercapto-2-(pyrid-3-yl)-6-(trifluoromethyl)pyrimidine?
The CAS number of 4-Mercapto-2-(pyrid-3-yl)-6-(trifluoromethyl)pyrimidine is 541550-01-0.
What is the molecular formula of 4-Mercapto-2-(pyrid-3-yl)-6-(trifluoromethyl)pyrimidine?
The molecular formula of 4-Mercapto-2-(pyrid-3-yl)-6-(trifluoromethyl)pyrimidine is C10H6F3N3S.
What is the molecular weight of 4-Mercapto-2-(pyrid-3-yl)-6-(trifluoromethyl)pyrimidine?
The molecular weight of 4-Mercapto-2-(pyrid-3-yl)-6-(trifluoromethyl)pyrimidine is 257.02 g/mol.
Where can I buy 4-Mercapto-2-(pyrid-3-yl)-6-(trifluoromethyl)pyrimidine?
You can request a quote for 4-Mercapto-2-(pyrid-3-yl)-6-(trifluoromethyl)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Mercapto-2-(pyrid-3-yl)-6-(trifluoromethyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Mercapto-2-(pyrid-3-yl)-6-(trifluoromethyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.