1,2,4-Triazine-3(2H)-thione, 5-(3,4-difluorophenyl)-
TL;DR: 1,2,4-Triazine-3(2H)-thione, 5-(3,4-difluorophenyl)- (CAS 79784-38-6) is a chemical compound with molecular formula C9H5F2N3S and molecular weight 225.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,4-difluorophenyl)-2H-1,2,4-triazine-3-thione
Also Known As: 5-(3,4-Difluorophenyl)-1,2,4-triazine-3(2H)-thione, 1,2,4-Triazine-3(2H)-thione, 5-(3,4-difluorophenyl)-, 5-(3,4-difluorophenyl)-2H-1,2,4-triazine-3-thione, RefChem:215053
| Molecular Formula | C9H5F2N3S |
|---|---|
| Molecular Weight | 225.02 g/mol |
| LogP | 2.47939 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.01723 |
| Heavy Atoms | 15 |
| Complexity | 553.0489 |
Chemical Identifiers
| CAS Number | 79784-38-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=NC(=S)NN=C2)F)F |
Product Overview
1,2,4-Triazine-3(2H)-thione, 5-(3,4-difluorophenyl)- (CAS 79784-38-6), with molecular formula C9H5F2N3S and molecular weight 225.02 g/mol. IUPAC: 5-(3,4-difluorophenyl)-2H-1,2,4-triazine-3-thione.
Chemical Property Profile of 1,2,4-Triazine-3(2H)-thione, 5-(3,4-difluorophenyl)-
Property Insights of 1,2,4-Triazine-3(2H)-thione, 5-(3,4-difluorophenyl)-
The XLogP value of 2.47939 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Triazine-3(2H)-thione, 5-(3,4-difluorophenyl)-. With a topological polar surface area (TPSA) of 41.57 Ų, 1,2,4-Triazine-3(2H)-thione, 5-(3,4-difluorophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Triazine-3(2H)-thione, 5-(3,4-difluorophenyl)- 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-(3,4-difluorophenyl)-?
The CAS number of 1,2,4-Triazine-3(2H)-thione, 5-(3,4-difluorophenyl)- is 79784-38-6.
What is the molecular formula of 1,2,4-Triazine-3(2H)-thione, 5-(3,4-difluorophenyl)-?
The molecular formula of 1,2,4-Triazine-3(2H)-thione, 5-(3,4-difluorophenyl)- is C9H5F2N3S.
What is the molecular weight of 1,2,4-Triazine-3(2H)-thione, 5-(3,4-difluorophenyl)-?
The molecular weight of 1,2,4-Triazine-3(2H)-thione, 5-(3,4-difluorophenyl)- is 225.02 g/mol.
Where can I buy 1,2,4-Triazine-3(2H)-thione, 5-(3,4-difluorophenyl)-?
You can request a quote for 1,2,4-Triazine-3(2H)-thione, 5-(3,4-difluorophenyl)- 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-(3,4-difluorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triazine-3(2H)-thione, 5-(3,4-difluorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.