3-(Trifluoromethyl)pyridine-2(1H)-thione
TL;DR: 3-(Trifluoromethyl)pyridine-2(1H)-thione (CAS 16461-94-2) is a chemical compound with molecular formula C6H4F3NS and molecular weight 179.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(trifluoromethyl)-1H-pyridine-2-thione
Also Known As: 3-(trifluoromethyl)pyridine-2-thiol, 2-Mercapto-3-(trifluoromethyl)pyridine, 3-(trifluoromethyl)-1H-pyridine-2-thione, zlchem 650, 3-(trifluoromethyl)-2-pyridinethiol
| Molecular Formula | C6H4F3NS |
|---|---|
| Molecular Weight | 179.00 g/mol |
| LogP | 2.76299 |
| Topological Polar Surface Area | 15.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.00165 |
| Heavy Atoms | 11 |
| Complexity | 301.18597 |
Chemical Identifiers
| CAS Number | 16461-94-2 |
|---|---|
| SMILES | C1=CNC(=S)C(=C1)C(F)(F)F |
Product Overview
3-(Trifluoromethyl)pyridine-2(1H)-thione (CAS 16461-94-2), with molecular formula C6H4F3NS and molecular weight 179.00 g/mol. IUPAC: 3-(trifluoromethyl)-1H-pyridine-2-thione.
Chemical Property Profile of 3-(Trifluoromethyl)pyridine-2(1H)-thione
Property Insights of 3-(Trifluoromethyl)pyridine-2(1H)-thione
The XLogP value of 2.76299 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Trifluoromethyl)pyridine-2(1H)-thione. With a topological polar surface area (TPSA) of 15.79 Ų, 3-(Trifluoromethyl)pyridine-2(1H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Trifluoromethyl)pyridine-2(1H)-thione has 1 hydrogen bond donor(s) and 1 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-(Trifluoromethyl)pyridine-2(1H)-thione?
The CAS number of 3-(Trifluoromethyl)pyridine-2(1H)-thione is 16461-94-2.
What is the molecular formula of 3-(Trifluoromethyl)pyridine-2(1H)-thione?
The molecular formula of 3-(Trifluoromethyl)pyridine-2(1H)-thione is C6H4F3NS.
What is the molecular weight of 3-(Trifluoromethyl)pyridine-2(1H)-thione?
The molecular weight of 3-(Trifluoromethyl)pyridine-2(1H)-thione is 179.00 g/mol.
Where can I buy 3-(Trifluoromethyl)pyridine-2(1H)-thione?
You can request a quote for 3-(Trifluoromethyl)pyridine-2(1H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Trifluoromethyl)pyridine-2(1H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(Trifluoromethyl)pyridine-2(1H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.