![2-(3-fluorophenyl)tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dithione structure](/static/products/9139/91396-88-2.webp)
2-(3-fluorophenyl)tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dithione
TL;DR: 2-(3-fluorophenyl)tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dithione (CAS 91396-88-2) is a chemical compound with molecular formula C12H12FN3S2 and molecular weight 281.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dithione
Also Known As: 2-(3-fluorophenyl)tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dithione, 1H-[1,2,4]Triazolo[1,2-a]pyridazine-1,3(2H)-dithione,2-(3-fluorophenyl)tetrahydro-, 8-(3-fluorophenyl)-1,6,8-triazabicyclo[4.3.0]nonane-7,9-dithione, 1,2-Tetramethylen-4-phenyl-urazol,3-Phenyl-2,4-dioxo-1,3,5-triaza-bicyclo<3.4.0>nonan, 2-(3-Fluorophenyl)-5,6,7,8-tetrahydro-(1,2,4)triazolo(1,2-a)pyridazine-1,3-dithione
| Molecular Formula | C12H12FN3S2 |
|---|---|
| Molecular Weight | 281.05 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.04565 |
| Heavy Atoms | 18 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 91396-88-2 |
|---|---|
| SMILES | C1CCN2C(=S)N(C(=S)N2C1)C3=CC(=CC=C3)F |
| InChIKey | YDYWDKAZHWSZPS-UHFFFAOYSA-N |
Product Overview
2-(3-fluorophenyl)tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dithione (CAS 91396-88-2), with molecular formula C12H12FN3S2 and molecular weight 281.05 g/mol. IUPAC: 2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dithione.
Chemical Property Profile of 2-(3-fluorophenyl)tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dithione
Property Insights of 2-(3-fluorophenyl)tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dithione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-fluorophenyl)tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dithione. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-fluorophenyl)tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dithione. Following Lipinski's Rule of Five, 2-(3-fluorophenyl)tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dithione has 0 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 2-(3-fluorophenyl)tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dithione?
The CAS number of 2-(3-fluorophenyl)tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dithione is 91396-88-2.
What is the molecular formula of 2-(3-fluorophenyl)tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dithione?
The molecular formula of 2-(3-fluorophenyl)tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dithione is C12H12FN3S2.
What is the molecular weight of 2-(3-fluorophenyl)tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dithione?
The molecular weight of 2-(3-fluorophenyl)tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dithione is 281.05 g/mol.
Where can I buy 2-(3-fluorophenyl)tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dithione?
You can request a quote for 2-(3-fluorophenyl)tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dithione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-fluorophenyl)tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dithione?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-fluorophenyl)tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dithione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.