![5-cyclohexyl-4-[(4-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol structure](/static/products/488/488102-03-0.png)
5-cyclohexyl-4-[(4-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol
TL;DR: 5-cyclohexyl-4-[(4-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol (CAS 488102-03-0) is a chemical compound with molecular formula C15H17N5O2S and molecular weight 331.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyclohexyl-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 5-cyclohexyl-4-[(4-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol, (E)-5-cyclohexyl-4-((4-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol, 3-cyclohexyl-4-[(4-nitrobenzylidene)amino]-1H-1,2,4-triazole-5-thione, 3-cyclohexyl-4-[(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 3-cyclohexyl-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
| Molecular Formula | C15H17N5O2S |
|---|---|
| Molecular Weight | 331.11 g/mol |
| LogP | 3.77879 |
| Topological Polar Surface Area | 89.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.1103 |
| Heavy Atoms | 23 |
| Complexity | 771.9101 |
Chemical Identifiers
| CAS Number | 488102-03-0 |
|---|---|
| SMILES | C1CCC(CC1)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
5-cyclohexyl-4-[(4-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol (CAS 488102-03-0), with molecular formula C15H17N5O2S and molecular weight 331.11 g/mol. IUPAC: 3-cyclohexyl-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-cyclohexyl-4-[(4-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol
Property Insights of 5-cyclohexyl-4-[(4-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.77879 indicates that 5-cyclohexyl-4-[(4-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-cyclohexyl-4-[(4-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-cyclohexyl-4-[(4-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 5 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-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-cyclohexyl-4-[(4-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol is 488102-03-0.
What is the molecular formula of 5-cyclohexyl-4-[(4-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-cyclohexyl-4-[(4-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol is C15H17N5O2S.
What is the molecular weight of 5-cyclohexyl-4-[(4-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-cyclohexyl-4-[(4-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol is 331.11 g/mol.
Where can I buy 5-cyclohexyl-4-[(4-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-cyclohexyl-4-[(4-nitrobenzylidene)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-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-cyclohexyl-4-[(4-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.