1,2,4-Triazine-3(2H)-thione, 5-(4-fluorophenyl)-
TL;DR: 1,2,4-Triazine-3(2H)-thione, 5-(4-fluorophenyl)- (CAS 79784-43-3) is a chemical compound with molecular formula C9H6FN3S and molecular weight 207.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-fluorophenyl)-2H-1,2,4-triazine-3-thione
Also Known As: 5-(4-Fluorophenyl)-1,2,4-triazine-3(2H)-thione, 1,2,4-Triazine-3(2H)-thione, 5-(4-fluorophenyl)-, 5-(4-fluorophenyl)-2H-1,2,4-triazine-3-thione, RefChem:215055
| Molecular Formula | C9H6FN3S |
|---|---|
| Molecular Weight | 207.03 g/mol |
| LogP | 2.34029 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.02664 |
| Heavy Atoms | 14 |
| Complexity | 491.9103 |
Chemical Identifiers
| CAS Number | 79784-43-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC(=S)NN=C2)F |
Product Overview
1,2,4-Triazine-3(2H)-thione, 5-(4-fluorophenyl)- (CAS 79784-43-3), with molecular formula C9H6FN3S and molecular weight 207.03 g/mol. IUPAC: 5-(4-fluorophenyl)-2H-1,2,4-triazine-3-thione.
Chemical Property Profile of 1,2,4-Triazine-3(2H)-thione, 5-(4-fluorophenyl)-
Property Insights of 1,2,4-Triazine-3(2H)-thione, 5-(4-fluorophenyl)-
The XLogP value of 2.34029 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Triazine-3(2H)-thione, 5-(4-fluorophenyl)-. With a topological polar surface area (TPSA) of 41.57 Ų, 1,2,4-Triazine-3(2H)-thione, 5-(4-fluorophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Triazine-3(2H)-thione, 5-(4-fluorophenyl)- 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 1,2,4-Triazine-3(2H)-thione, 5-(4-fluorophenyl)-?
The CAS number of 1,2,4-Triazine-3(2H)-thione, 5-(4-fluorophenyl)- is 79784-43-3.
What is the molecular formula of 1,2,4-Triazine-3(2H)-thione, 5-(4-fluorophenyl)-?
The molecular formula of 1,2,4-Triazine-3(2H)-thione, 5-(4-fluorophenyl)- is C9H6FN3S.
What is the molecular weight of 1,2,4-Triazine-3(2H)-thione, 5-(4-fluorophenyl)-?
The molecular weight of 1,2,4-Triazine-3(2H)-thione, 5-(4-fluorophenyl)- is 207.03 g/mol.
Where can I buy 1,2,4-Triazine-3(2H)-thione, 5-(4-fluorophenyl)-?
You can request a quote for 1,2,4-Triazine-3(2H)-thione, 5-(4-fluorophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Triazine-3(2H)-thione, 5-(4-fluorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triazine-3(2H)-thione, 5-(4-fluorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.