5-(2-Pyridinyl)-4-((4-(tri-F-methyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(2-Pyridinyl)-4-((4-(tri-F-methyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 613248-47-8) is a chemical compound with molecular formula C15H10F3N5S and molecular weight 349.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyridin-2-yl-4-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 3-(Pyridin-2-yl)-4-((4-(trifluoromethyl)benzylidene)amino)-1H-1,2,4-triazole-5(4H)-thione, 5-(2-PYRIDINYL)-4-((4-(TRI-F-METHYL)BENZYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL, (E)-5-(pyridin-2-yl)-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol, 4-{(1E)-2-[4-(trifluoromethyl)phenyl]-1-azavinyl}-5-(2-pyridyl)-1,2,4-triazole -3-thiol, 3-pyridin-2-yl-4-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
| Molecular Formula | C15H10F3N5S |
|---|---|
| Molecular Weight | 349.06 g/mol |
| LogP | 3.90369 |
| Topological Polar Surface Area | 58.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.0609 |
| Heavy Atoms | 24 |
| Complexity | 910.7777 |
Chemical Identifiers
| CAS Number | 613248-47-8 |
|---|---|
| SMILES | C1=CC=NC(=C1)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)C(F)(F)F |
Product Overview
5-(2-Pyridinyl)-4-((4-(tri-F-methyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 613248-47-8), with molecular formula C15H10F3N5S and molecular weight 349.06 g/mol. IUPAC: 3-pyridin-2-yl-4-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(2-Pyridinyl)-4-((4-(tri-F-methyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(2-Pyridinyl)-4-((4-(tri-F-methyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.90369 indicates that 5-(2-Pyridinyl)-4-((4-(tri-F-methyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.86 Ų, 5-(2-Pyridinyl)-4-((4-(tri-F-methyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-Pyridinyl)-4-((4-(tri-F-methyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 4 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 5-(2-Pyridinyl)-4-((4-(tri-F-methyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(2-Pyridinyl)-4-((4-(tri-F-methyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is 613248-47-8.
What is the molecular formula of 5-(2-Pyridinyl)-4-((4-(tri-F-methyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(2-Pyridinyl)-4-((4-(tri-F-methyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is C15H10F3N5S.
What is the molecular weight of 5-(2-Pyridinyl)-4-((4-(tri-F-methyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(2-Pyridinyl)-4-((4-(tri-F-methyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is 349.06 g/mol.
Where can I buy 5-(2-Pyridinyl)-4-((4-(tri-F-methyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(2-Pyridinyl)-4-((4-(tri-F-methyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-Pyridinyl)-4-((4-(tri-F-methyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Pyridinyl)-4-((4-(tri-F-methyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.