4-ethyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl methyl sulfide
TL;DR: 4-ethyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl methyl sulfide (CAS 868255-87-2) is a chemical compound with molecular formula C11H12FN3S and molecular weight 237.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-3-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazole
Also Known As: 4-ethyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl methyl sulfide, 4-ethyl-3-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazole, 4-ethyl-3-(4-fluorophenyl)-5-(methylsulfanyl)-4H-1,2,4-triazole, 4-ethyl-3-(4-fluorophenyl)-5-(methylsulfanyl)-1,2,4-triazole
| Molecular Formula | C11H12FN3S |
|---|---|
| Molecular Weight | 237.07 g/mol |
| LogP | 2.826 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.0736 |
| Heavy Atoms | 16 |
| Complexity | 478.47495 |
Chemical Identifiers
| CAS Number | 868255-87-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SC)C2=CC=C(C=C2)F |
Product Overview
4-ethyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl methyl sulfide (CAS 868255-87-2), with molecular formula C11H12FN3S and molecular weight 237.07 g/mol. IUPAC: 4-ethyl-3-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazole.
Chemical Property Profile of 4-ethyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl methyl sulfide
Property Insights of 4-ethyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl methyl sulfide
The XLogP value of 2.826 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-ethyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl methyl sulfide. With a topological polar surface area (TPSA) of 30.71 Ų, 4-ethyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl methyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-ethyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl methyl sulfide 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 4-ethyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl methyl sulfide?
The CAS number of 4-ethyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl methyl sulfide is 868255-87-2.
What is the molecular formula of 4-ethyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl methyl sulfide?
The molecular formula of 4-ethyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl methyl sulfide is C11H12FN3S.
What is the molecular weight of 4-ethyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl methyl sulfide?
The molecular weight of 4-ethyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl methyl sulfide is 237.07 g/mol.
Where can I buy 4-ethyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl methyl sulfide?
You can request a quote for 4-ethyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl methyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-ethyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl methyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-ethyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl methyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.