![5-cyclohexyl-4-{[4-(trifluoromethyl)benzylidene]amino}-4H-1,2,4-triazole-3-thiol structure](/static/products/488/488804-75-7.png)
5-cyclohexyl-4-{[4-(trifluoromethyl)benzylidene]amino}-4H-1,2,4-triazole-3-thiol
TL;DR: 5-cyclohexyl-4-{[4-(trifluoromethyl)benzylidene]amino}-4H-1,2,4-triazole-3-thiol (CAS 488804-75-7) is a chemical compound with molecular formula C16H17F3N4S and molecular weight 354.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyclohexyl-4-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-5-cyclohexyl-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol, 5-cyclohexyl-4-{[4-(trifluoromethyl)benzylidene]amino}-4H-1,2,4-triazole-3-thiol, 3-cyclohexyl-4-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione, 5-cyclohexyl-4-({(E)-[4-(trifluoromethyl)phenyl]methylidene}amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-cyclohexyl-4-({(E)-[4-(trifluoromethyl)phenyl]methylidene}amino)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C16H17F3N4S |
|---|---|
| Molecular Weight | 354.11 g/mol |
| LogP | 4.88939 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.1126 |
| Heavy Atoms | 24 |
| Complexity | 767.8556 |
Chemical Identifiers
| CAS Number | 488804-75-7 |
|---|---|
| SMILES | C1CCC(CC1)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)C(F)(F)F |
Product Overview
5-cyclohexyl-4-{[4-(trifluoromethyl)benzylidene]amino}-4H-1,2,4-triazole-3-thiol (CAS 488804-75-7), with molecular formula C16H17F3N4S and molecular weight 354.11 g/mol. IUPAC: 3-cyclohexyl-4-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-cyclohexyl-4-{[4-(trifluoromethyl)benzylidene]amino}-4H-1,2,4-triazole-3-thiol
Property Insights of 5-cyclohexyl-4-{[4-(trifluoromethyl)benzylidene]amino}-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.88939 indicates that 5-cyclohexyl-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-cyclohexyl-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-cyclohexyl-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-cyclohexyl-4-{[4-(trifluoromethyl)benzylidene]amino}-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-cyclohexyl-4-{[4-(trifluoromethyl)benzylidene]amino}-4H-1,2,4-triazole-3-thiol is 488804-75-7.
What is the molecular formula of 5-cyclohexyl-4-{[4-(trifluoromethyl)benzylidene]amino}-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-cyclohexyl-4-{[4-(trifluoromethyl)benzylidene]amino}-4H-1,2,4-triazole-3-thiol is C16H17F3N4S.
What is the molecular weight of 5-cyclohexyl-4-{[4-(trifluoromethyl)benzylidene]amino}-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-cyclohexyl-4-{[4-(trifluoromethyl)benzylidene]amino}-4H-1,2,4-triazole-3-thiol is 354.11 g/mol.
Where can I buy 5-cyclohexyl-4-{[4-(trifluoromethyl)benzylidene]amino}-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-cyclohexyl-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-cyclohexyl-4-{[4-(trifluoromethyl)benzylidene]amino}-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-cyclohexyl-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.