3-Cyclohexyl-4-ethyl-5-(methylthio)-4H-1,2,4-triazole
TL;DR: 3-Cyclohexyl-4-ethyl-5-(methylthio)-4H-1,2,4-triazole (CAS 482650-97-5) is a chemical compound with molecular formula C11H19N3S and molecular weight 225.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyclohexyl-4-ethyl-5-methylsulfanyl-1,2,4-triazole
Also Known As: 3-cyclohexyl-4-ethyl-5-methylsulfanyl-1,2,4-triazole, 3-Cyclohexyl-4-ethyl-5-(methylthio)-4H-1,2,4-triazole, 4H-1,2,4-TRIAZOLE, 3-CYCLOHEXYL-4-ETHYL-5-(METHYLTHIO)-, 4H-1,2,4-Triazole, 3-cyclohexyl-4-ethyl-5-(methylthio)- (9CI)
| Molecular Formula | C11H19N3S |
|---|---|
| Molecular Weight | 225.13 g/mol |
| LogP | 3.0676 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.12997 |
| Heavy Atoms | 15 |
| Complexity | 315.63297 |
Chemical Identifiers
| CAS Number | 482650-97-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SC)C2CCCCC2 |
Product Overview
3-Cyclohexyl-4-ethyl-5-(methylthio)-4H-1,2,4-triazole (CAS 482650-97-5), with molecular formula C11H19N3S and molecular weight 225.13 g/mol. IUPAC: 3-cyclohexyl-4-ethyl-5-methylsulfanyl-1,2,4-triazole.
Chemical Property Profile of 3-Cyclohexyl-4-ethyl-5-(methylthio)-4H-1,2,4-triazole
Property Insights of 3-Cyclohexyl-4-ethyl-5-(methylthio)-4H-1,2,4-triazole
The XLogP value of 3.0676 indicates that 3-Cyclohexyl-4-ethyl-5-(methylthio)-4H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 3-Cyclohexyl-4-ethyl-5-(methylthio)-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclohexyl-4-ethyl-5-(methylthio)-4H-1,2,4-triazole has 0 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 3-Cyclohexyl-4-ethyl-5-(methylthio)-4H-1,2,4-triazole?
The CAS number of 3-Cyclohexyl-4-ethyl-5-(methylthio)-4H-1,2,4-triazole is 482650-97-5.
What is the molecular formula of 3-Cyclohexyl-4-ethyl-5-(methylthio)-4H-1,2,4-triazole?
The molecular formula of 3-Cyclohexyl-4-ethyl-5-(methylthio)-4H-1,2,4-triazole is C11H19N3S.
What is the molecular weight of 3-Cyclohexyl-4-ethyl-5-(methylthio)-4H-1,2,4-triazole?
The molecular weight of 3-Cyclohexyl-4-ethyl-5-(methylthio)-4H-1,2,4-triazole is 225.13 g/mol.
Where can I buy 3-Cyclohexyl-4-ethyl-5-(methylthio)-4H-1,2,4-triazole?
You can request a quote for 3-Cyclohexyl-4-ethyl-5-(methylthio)-4H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyclohexyl-4-ethyl-5-(methylthio)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclohexyl-4-ethyl-5-(methylthio)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.