![3-(3-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-thiol structure](/static/products/872/872696-22-5.png)
3-(3-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-thiol
TL;DR: 3-(3-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-thiol (CAS 872696-22-5) is a chemical compound with molecular formula C11H7FN4S and molecular weight 246.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-fluorophenyl)-5H-[1,2,4]triazolo[4,3-b]pyridazine-6-thione
Also Known As: 3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-thiol, 3-(3-fluorophenyl)-5H-[1,2,4]triazolo[4,3-b]pyridazine-6-thione, 3-(m-fluorophenyl)-1,2,3a,4-tetraaza-5-indenethiol
| Molecular Formula | C11H7FN4S |
|---|---|
| Molecular Weight | 246.04 g/mol |
| LogP | 2.59299 |
| Topological Polar Surface Area | 45.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.03755 |
| Heavy Atoms | 17 |
| Complexity | 746.3113 |
Chemical Identifiers
| CAS Number | 872696-22-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)C2=NN=C3N2NC(=S)C=C3 |
Product Overview
3-(3-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-thiol (CAS 872696-22-5), with molecular formula C11H7FN4S and molecular weight 246.04 g/mol. IUPAC: 3-(3-fluorophenyl)-5H-[1,2,4]triazolo[4,3-b]pyridazine-6-thione.
Chemical Property Profile of 3-(3-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-thiol
Property Insights of 3-(3-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-thiol
The XLogP value of 2.59299 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-thiol. With a topological polar surface area (TPSA) of 45.98 Ų, 3-(3-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-thiol 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 3-(3-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-thiol?
The CAS number of 3-(3-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-thiol is 872696-22-5.
What is the molecular formula of 3-(3-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-thiol?
The molecular formula of 3-(3-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-thiol is C11H7FN4S.
What is the molecular weight of 3-(3-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-thiol?
The molecular weight of 3-(3-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-thiol is 246.04 g/mol.
Where can I buy 3-(3-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-thiol?
You can request a quote for 3-(3-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-thiol?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.