(E)-5-cyclohexyl-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-5-cyclohexyl-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 613247-16-8) is a chemical compound with molecular formula C16H20N4S2 and molecular weight 332.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyclohexyl-4-[(E)-(4-methylsulfanylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-5-cyclohexyl-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol, 3-cyclohexyl-4-[(E)-(4-methylsulfanylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 5-cyclohexyl-4-({(E)-[4-(methylthio)phenyl]methylidene}amino)-4H-1,2,4-triazole-3-thiol, 5-cyclohexyl-4-[(4-methylsulfanylphenyl)methylideneamino]-2H-1,2,4-triazole-3-thione, 5-cyclohexyl-4-({(E)-[4-(methylsulfanyl)phenyl]methylidene}amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C16H20N4S2 |
|---|---|
| Molecular Weight | 332.11 g/mol |
| LogP | 4.59249 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.11295 |
| Heavy Atoms | 22 |
| Complexity | 693.681 |
Chemical Identifiers
| CAS Number | 613247-16-8 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3CCCCC3 |
Product Overview
(E)-5-cyclohexyl-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 613247-16-8), with molecular formula C16H20N4S2 and molecular weight 332.11 g/mol. IUPAC: 3-cyclohexyl-4-[(E)-(4-methylsulfanylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-5-cyclohexyl-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-5-cyclohexyl-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.59249 indicates that (E)-5-cyclohexyl-4-((4-(methylthio)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, (E)-5-cyclohexyl-4-((4-(methylthio)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, (E)-5-cyclohexyl-4-((4-(methylthio)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 (E)-5-cyclohexyl-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-5-cyclohexyl-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is 613247-16-8.
What is the molecular formula of (E)-5-cyclohexyl-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-5-cyclohexyl-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is C16H20N4S2.
What is the molecular weight of (E)-5-cyclohexyl-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-5-cyclohexyl-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is 332.11 g/mol.
Where can I buy (E)-5-cyclohexyl-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-5-cyclohexyl-4-((4-(methylthio)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 (E)-5-cyclohexyl-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-cyclohexyl-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.