![6-Chloro[1,2,4]triazolo[4,3-b]pyridazine-3-thiol structure](/static/products/111/111317-12-5.webp)
6-Chloro[1,2,4]triazolo[4,3-b]pyridazine-3-thiol
TL;DR: 6-Chloro[1,2,4]triazolo[4,3-b]pyridazine-3-thiol (CAS 111317-12-5) is a chemical compound with molecular formula C5H3ClN4S and molecular weight 185.9767 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-chloro-2H-[1,2,4]triazolo[4,3-b]pyridazine-3-thione
Also Known As: 6-chloro[1,2,4]triazolo[4,3-b]pyridazine-3-thiol, 6-chloro-[1,2,4]triazolo[4,3-b]pyridazine-3-thiol, 6-chloro-2H-[1,2,4]triazolo[4,3-b]pyridazine-3-thione, 1,2,4-Triazolo[4,3-b]pyridazine-3(2H)-thione,6-chloro-, Pyridine,1,2,3,6-tetrahydro-1-(1-oxo-2-propynyl)
Technical Specifications
| Molecular Formula | C5H3ClN4S |
| Molecular Weight | 185.9767 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 185.9767 Da |
| Heavy Atoms | 11 |
| Complexity | 306.0 |
| SMILES | C1=CC(=NN2C1=NNC2=S)Cl |
| InChIKey | SRYFICSQNBECGO-UHFFFAOYSA-N |
Chemical Property Profile of 6-Chloro[1,2,4]triazolo[4,3-b]pyridazine-3-thiol
Property Insights of 6-Chloro[1,2,4]triazolo[4,3-b]pyridazine-3-thiol
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro[1,2,4]triazolo[4,3-b]pyridazine-3-thiol. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Chloro[1,2,4]triazolo[4,3-b]pyridazine-3-thiol. Following Lipinski's Rule of Five, 6-Chloro[1,2,4]triazolo[4,3-b]pyridazine-3-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
What is the CAS number of 6-Chloro[1,2,4]triazolo[4,3-b]pyridazine-3-thiol?
The CAS number of 6-Chloro[1,2,4]triazolo[4,3-b]pyridazine-3-thiol is 111317-12-5.
What is the molecular formula of 6-Chloro[1,2,4]triazolo[4,3-b]pyridazine-3-thiol?
The molecular formula of 6-Chloro[1,2,4]triazolo[4,3-b]pyridazine-3-thiol is C5H3ClN4S.
What is the molecular weight of 6-Chloro[1,2,4]triazolo[4,3-b]pyridazine-3-thiol?
The molecular weight of 6-Chloro[1,2,4]triazolo[4,3-b]pyridazine-3-thiol is 185.9767 g/mol.
Where can I buy 6-Chloro[1,2,4]triazolo[4,3-b]pyridazine-3-thiol?
You can request a quote for 6-Chloro[1,2,4]triazolo[4,3-b]pyridazine-3-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Chloro[1,2,4]triazolo[4,3-b]pyridazine-3-thiol?
Yes, CoreyChem provides custom synthesis services for 6-Chloro[1,2,4]triazolo[4,3-b]pyridazine-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.