4-Cyclohexyl-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-Cyclohexyl-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol (CAS 17050-54-3) is a chemical compound with molecular formula C14H16N4O2S and molecular weight 304.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyclohexyl-3-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-Cyclohexyl-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol, 4-cyclohexyl-5-(4-nitrophenyl)-1,2,4-triazole-3-thiol, 4-cyclohexyl-3-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione, 4-cyclohexyl-5-(4-nitrophenyl)-2H-1,2,4-triazole-3-thione
| Molecular Formula | C14H16N4O2S |
|---|---|
| Molecular Weight | 304.10 g/mol |
| LogP | 4.02109 |
| Topological Polar Surface Area | 76.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.0994 |
| Heavy Atoms | 21 |
| Complexity | 698.5092 |
Chemical Identifiers
| CAS Number | 17050-54-3 |
|---|---|
| SMILES | C1CCC(CC1)N2C(=NNC2=S)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
4-Cyclohexyl-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol (CAS 17050-54-3), with molecular formula C14H16N4O2S and molecular weight 304.10 g/mol. IUPAC: 4-cyclohexyl-3-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-Cyclohexyl-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-Cyclohexyl-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.02109 indicates that 4-Cyclohexyl-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Cyclohexyl-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-Cyclohexyl-5-(4-nitrophenyl)-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 4-Cyclohexyl-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-Cyclohexyl-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol is 17050-54-3.
What is the molecular formula of 4-Cyclohexyl-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-Cyclohexyl-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol is C14H16N4O2S.
What is the molecular weight of 4-Cyclohexyl-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-Cyclohexyl-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol is 304.10 g/mol.
Where can I buy 4-Cyclohexyl-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-Cyclohexyl-5-(4-nitrophenyl)-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 4-Cyclohexyl-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyclohexyl-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.