![3-ethyl-4-[(E)-1-(4-fluorophenyl)ethylideneamino]-1H-1,2,4-triazole-5-thione structure](/static/products/4666/466646-85-5.webp)
3-ethyl-4-[(E)-1-(4-fluorophenyl)ethylideneamino]-1H-1,2,4-triazole-5-thione
TL;DR: 3-ethyl-4-[(E)-1-(4-fluorophenyl)ethylideneamino]-1H-1,2,4-triazole-5-thione (CAS 466646-85-5) is a chemical compound with molecular formula C12H13FN4S and molecular weight 264.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-4-[(E)-1-(4-fluorophenyl)ethylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: AP-906/41251020, 3-ethyl-4-[(E)-1-(4-fluorophenyl)ethylideneamino]-1H-1,2,4-triazole-5-thione, 5-ethyl-4-{[1-(4-fluorophenyl)ethylidene]amino}-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(4-fluorophenyl)-1-azaprop-1-enyl]-5-ethyl-1,2,4-triazole-3-thiol
| Molecular Formula | C12H13FN4S |
|---|---|
| Molecular Weight | 264.08 g/mol |
| LogP | 2.91449 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.0845 |
| Heavy Atoms | 18 |
| Complexity | 624.2721 |
Chemical Identifiers
| CAS Number | 466646-85-5 |
|---|---|
| SMILES | CCC1=NNC(=S)N1/N=C(\C)/C2=CC=C(C=C2)F |
Product Overview
3-ethyl-4-[(E)-1-(4-fluorophenyl)ethylideneamino]-1H-1,2,4-triazole-5-thione (CAS 466646-85-5), with molecular formula C12H13FN4S and molecular weight 264.08 g/mol. IUPAC: 3-ethyl-4-[(E)-1-(4-fluorophenyl)ethylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-ethyl-4-[(E)-1-(4-fluorophenyl)ethylideneamino]-1H-1,2,4-triazole-5-thione
Property Insights of 3-ethyl-4-[(E)-1-(4-fluorophenyl)ethylideneamino]-1H-1,2,4-triazole-5-thione
The XLogP value of 2.91449 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-ethyl-4-[(E)-1-(4-fluorophenyl)ethylideneamino]-1H-1,2,4-triazole-5-thione. With a topological polar surface area (TPSA) of 45.97 Ų, 3-ethyl-4-[(E)-1-(4-fluorophenyl)ethylideneamino]-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-ethyl-4-[(E)-1-(4-fluorophenyl)ethylideneamino]-1H-1,2,4-triazole-5-thione has 1 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-ethyl-4-[(E)-1-(4-fluorophenyl)ethylideneamino]-1H-1,2,4-triazole-5-thione?
The CAS number of 3-ethyl-4-[(E)-1-(4-fluorophenyl)ethylideneamino]-1H-1,2,4-triazole-5-thione is 466646-85-5.
What is the molecular formula of 3-ethyl-4-[(E)-1-(4-fluorophenyl)ethylideneamino]-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-ethyl-4-[(E)-1-(4-fluorophenyl)ethylideneamino]-1H-1,2,4-triazole-5-thione is C12H13FN4S.
What is the molecular weight of 3-ethyl-4-[(E)-1-(4-fluorophenyl)ethylideneamino]-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-ethyl-4-[(E)-1-(4-fluorophenyl)ethylideneamino]-1H-1,2,4-triazole-5-thione is 264.08 g/mol.
Where can I buy 3-ethyl-4-[(E)-1-(4-fluorophenyl)ethylideneamino]-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-ethyl-4-[(E)-1-(4-fluorophenyl)ethylideneamino]-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-ethyl-4-[(E)-1-(4-fluorophenyl)ethylideneamino]-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-ethyl-4-[(E)-1-(4-fluorophenyl)ethylideneamino]-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.