5-(2-F-PH)-4-((4-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(2-F-PH)-4-((4-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 577694-35-0) is a chemical compound with molecular formula C16H10F4N4S and molecular weight 366.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-fluorophenyl)-4-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 3-(2-Fluorophenyl)-4-((4-(trifluoromethyl)benzylidene)amino)-1H-1,2,4-triazole-5(4H)-thione, 5-(2-F-PH)-4-((4-(TRIFLUOROMETHYL)BENZYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL, (E)-5-(2-fluorophenyl)-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol, 3-(2-fluorophenyl)-4-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione, 4-{(1E)-2-[4-(trifluoromethyl)phenyl]-1-azavinyl}-5-(2-fluorophenyl)-1,2,4-tri azole-3-thiol
| Molecular Formula | C16H10F4N4S |
|---|---|
| Molecular Weight | 366.06 g/mol |
| LogP | 4.64779 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.05624 |
| Heavy Atoms | 25 |
| Complexity | 970.79004 |
Chemical Identifiers
| CAS Number | 577694-35-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)C(F)(F)F)F |
Product Overview
5-(2-F-PH)-4-((4-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 577694-35-0), with molecular formula C16H10F4N4S and molecular weight 366.06 g/mol. IUPAC: 3-(2-fluorophenyl)-4-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(2-F-PH)-4-((4-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(2-F-PH)-4-((4-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.64779 indicates that 5-(2-F-PH)-4-((4-(Trifluoromethyl)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 45.97 Ų, 5-(2-F-PH)-4-((4-(Trifluoromethyl)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-F-PH)-4-((4-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-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
Frequently Asked Questions
What is the CAS number of 5-(2-F-PH)-4-((4-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(2-F-PH)-4-((4-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is 577694-35-0.
What is the molecular formula of 5-(2-F-PH)-4-((4-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(2-F-PH)-4-((4-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is C16H10F4N4S.
What is the molecular weight of 5-(2-F-PH)-4-((4-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(2-F-PH)-4-((4-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is 366.06 g/mol.
Where can I buy 5-(2-F-PH)-4-((4-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(2-F-PH)-4-((4-(Trifluoromethyl)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-F-PH)-4-((4-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-F-PH)-4-((4-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.