5-(3-ME-PH)-4-((2-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(3-ME-PH)-4-((2-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 478255-82-2) is a chemical compound with molecular formula C17H13F3N4S and molecular weight 362.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methylphenyl)-4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 3-(m-Tolyl)-4-((2-(trifluoromethyl)benzylidene)amino)-1H-1,2,4-triazole-5(4H)-thione, (E)-5-(m-tolyl)-4-((2-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol, 5-(3-ME-PH)-4-((2-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol, 3-(3-methylphenyl)-4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione, 4-{(1E)-2-[2-(trifluoromethyl)phenyl]-1-azavinyl}-5-(3-methylphenyl)-1,2,4-tri azole-3-thiol
| Molecular Formula | C17H13F3N4S |
|---|---|
| Molecular Weight | 362.08 g/mol |
| LogP | 4.81711 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.0813 |
| Heavy Atoms | 25 |
| Complexity | 985.7983 |
Chemical Identifiers
| CAS Number | 478255-82-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NNC(=S)N2/N=C/C3=CC=CC=C3C(F)(F)F |
Product Overview
5-(3-ME-PH)-4-((2-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 478255-82-2), with molecular formula C17H13F3N4S and molecular weight 362.08 g/mol. IUPAC: 3-(3-methylphenyl)-4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(3-ME-PH)-4-((2-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(3-ME-PH)-4-((2-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.81711 indicates that 5-(3-ME-PH)-4-((2-(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-(3-ME-PH)-4-((2-(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-(3-ME-PH)-4-((2-(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-(3-ME-PH)-4-((2-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(3-ME-PH)-4-((2-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is 478255-82-2.
What is the molecular formula of 5-(3-ME-PH)-4-((2-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(3-ME-PH)-4-((2-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is C17H13F3N4S.
What is the molecular weight of 5-(3-ME-PH)-4-((2-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(3-ME-PH)-4-((2-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is 362.08 g/mol.
Where can I buy 5-(3-ME-PH)-4-((2-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(3-ME-PH)-4-((2-(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-(3-ME-PH)-4-((2-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-ME-PH)-4-((2-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.