5,6-bis(4-fluorophenyl)-2H-1,2,4-triazine-3-thione
TL;DR: 5,6-bis(4-fluorophenyl)-2H-1,2,4-triazine-3-thione (CAS 59663-51-3) is a chemical compound with molecular formula C15H9F2N3S and molecular weight 301.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-bis(4-fluorophenyl)-2H-1,2,4-triazine-3-thione
Also Known As: 3-Mercapto-5,6-bis(4-fluorophenyl)-1,2,4-triazine, 5,6-bis(4-fluorophenyl)-2H-1,2,4-triazine-3-thione, 5,6-bis(4-fluorophenyl)-1,2,4-triazine-3-thiol, 5,6-Bis(4-fluorophenyl)-1,2,4-triazine-3(2H)-thione, 1,2,4-Triazine-3(2H)-thione, 5,6-bis(4-fluorophenyl)-
| Molecular Formula | C15H9F2N3S |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | 4.14639 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.04852 |
| Heavy Atoms | 21 |
| Complexity | 826.7876 |
Chemical Identifiers
| CAS Number | 59663-51-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC(=S)NN=C2C3=CC=C(C=C3)F)F |
Product Overview
5,6-bis(4-fluorophenyl)-2H-1,2,4-triazine-3-thione (CAS 59663-51-3), with molecular formula C15H9F2N3S and molecular weight 301.05 g/mol. IUPAC: 5,6-bis(4-fluorophenyl)-2H-1,2,4-triazine-3-thione.
Chemical Property Profile of 5,6-bis(4-fluorophenyl)-2H-1,2,4-triazine-3-thione
Property Insights of 5,6-bis(4-fluorophenyl)-2H-1,2,4-triazine-3-thione
The XLogP value of 4.14639 indicates that 5,6-bis(4-fluorophenyl)-2H-1,2,4-triazine-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, 5,6-bis(4-fluorophenyl)-2H-1,2,4-triazine-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-bis(4-fluorophenyl)-2H-1,2,4-triazine-3-thione 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 5,6-bis(4-fluorophenyl)-2H-1,2,4-triazine-3-thione?
The CAS number of 5,6-bis(4-fluorophenyl)-2H-1,2,4-triazine-3-thione is 59663-51-3.
What is the molecular formula of 5,6-bis(4-fluorophenyl)-2H-1,2,4-triazine-3-thione?
The molecular formula of 5,6-bis(4-fluorophenyl)-2H-1,2,4-triazine-3-thione is C15H9F2N3S.
What is the molecular weight of 5,6-bis(4-fluorophenyl)-2H-1,2,4-triazine-3-thione?
The molecular weight of 5,6-bis(4-fluorophenyl)-2H-1,2,4-triazine-3-thione is 301.05 g/mol.
Where can I buy 5,6-bis(4-fluorophenyl)-2H-1,2,4-triazine-3-thione?
You can request a quote for 5,6-bis(4-fluorophenyl)-2H-1,2,4-triazine-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-bis(4-fluorophenyl)-2H-1,2,4-triazine-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5,6-bis(4-fluorophenyl)-2H-1,2,4-triazine-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.