1,2,4-Triazine-3(2H)-thione, 5-(4-fluoro-2-methylphenyl)-
TL;DR: 1,2,4-Triazine-3(2H)-thione, 5-(4-fluoro-2-methylphenyl)- (CAS 79784-47-7) is a chemical compound with molecular formula C10H8FN3S and molecular weight 221.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-fluoro-2-methylphenyl)-2H-1,2,4-triazine-3-thione
Also Known As: 5-(4-Fluoro-2-methylphenyl)-1,2,4-triazine-3(2H)-thione, 1,2,4-Triazine-3(2H)-thione, 5-(4-fluoro-2-methylphenyl)-, 5-(4-fluoro-2-methylphenyl)-2H-1,2,4-triazine-3-thione, RefChem:215054
| Molecular Formula | C10H8FN3S |
|---|---|
| Molecular Weight | 221.04 g/mol |
| LogP | 2.64871 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.0423 |
| Heavy Atoms | 15 |
| Complexity | 550.35895 |
Chemical Identifiers
| CAS Number | 79784-47-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)F)C2=NC(=S)NN=C2 |
Product Overview
1,2,4-Triazine-3(2H)-thione, 5-(4-fluoro-2-methylphenyl)- (CAS 79784-47-7), with molecular formula C10H8FN3S and molecular weight 221.04 g/mol. IUPAC: 5-(4-fluoro-2-methylphenyl)-2H-1,2,4-triazine-3-thione.
Chemical Property Profile of 1,2,4-Triazine-3(2H)-thione, 5-(4-fluoro-2-methylphenyl)-
Property Insights of 1,2,4-Triazine-3(2H)-thione, 5-(4-fluoro-2-methylphenyl)-
The XLogP value of 2.64871 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Triazine-3(2H)-thione, 5-(4-fluoro-2-methylphenyl)-. With a topological polar surface area (TPSA) of 41.57 Ų, 1,2,4-Triazine-3(2H)-thione, 5-(4-fluoro-2-methylphenyl)- 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-fluoro-2-methylphenyl)- 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-fluoro-2-methylphenyl)-?
The CAS number of 1,2,4-Triazine-3(2H)-thione, 5-(4-fluoro-2-methylphenyl)- is 79784-47-7.
What is the molecular formula of 1,2,4-Triazine-3(2H)-thione, 5-(4-fluoro-2-methylphenyl)-?
The molecular formula of 1,2,4-Triazine-3(2H)-thione, 5-(4-fluoro-2-methylphenyl)- is C10H8FN3S.
What is the molecular weight of 1,2,4-Triazine-3(2H)-thione, 5-(4-fluoro-2-methylphenyl)-?
The molecular weight of 1,2,4-Triazine-3(2H)-thione, 5-(4-fluoro-2-methylphenyl)- is 221.04 g/mol.
Where can I buy 1,2,4-Triazine-3(2H)-thione, 5-(4-fluoro-2-methylphenyl)-?
You can request a quote for 1,2,4-Triazine-3(2H)-thione, 5-(4-fluoro-2-methylphenyl)- 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-fluoro-2-methylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triazine-3(2H)-thione, 5-(4-fluoro-2-methylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.