![4-[(E)-benzylideneamino]-3-ethyl-1H-1,2,4-triazole-5-thione structure](/static/products/723/72386-24-4.png)
4-[(E)-benzylideneamino]-3-ethyl-1H-1,2,4-triazole-5-thione
TL;DR: 4-[(E)-benzylideneamino]-3-ethyl-1H-1,2,4-triazole-5-thione (CAS 72386-24-4) is a chemical compound with molecular formula C11H12N4S and molecular weight 232.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-benzylideneamino]-3-ethyl-1H-1,2,4-triazole-5-thione
Also Known As: 4-benzylideneamino-5-mercapto-3-ethyl-4H-1,2,4-triazole
| Molecular Formula | C11H12N4S |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | 2.38529 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.07826 |
| Heavy Atoms | 16 |
| Complexity | 538.61224 |
Chemical Identifiers
| CAS Number | 72386-24-4 |
|---|---|
| SMILES | CCC1=NNC(=S)N1/N=C/C2=CC=CC=C2 |
Product Overview
4-[(E)-benzylideneamino]-3-ethyl-1H-1,2,4-triazole-5-thione (CAS 72386-24-4), with molecular formula C11H12N4S and molecular weight 232.08 g/mol. IUPAC: 4-[(E)-benzylideneamino]-3-ethyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[(E)-benzylideneamino]-3-ethyl-1H-1,2,4-triazole-5-thione
Property Insights of 4-[(E)-benzylideneamino]-3-ethyl-1H-1,2,4-triazole-5-thione
The XLogP value of 2.38529 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(E)-benzylideneamino]-3-ethyl-1H-1,2,4-triazole-5-thione. With a topological polar surface area (TPSA) of 45.97 Ų, 4-[(E)-benzylideneamino]-3-ethyl-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(E)-benzylideneamino]-3-ethyl-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 4-[(E)-benzylideneamino]-3-ethyl-1H-1,2,4-triazole-5-thione?
The CAS number of 4-[(E)-benzylideneamino]-3-ethyl-1H-1,2,4-triazole-5-thione is 72386-24-4.
What is the molecular formula of 4-[(E)-benzylideneamino]-3-ethyl-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-[(E)-benzylideneamino]-3-ethyl-1H-1,2,4-triazole-5-thione is C11H12N4S.
What is the molecular weight of 4-[(E)-benzylideneamino]-3-ethyl-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-[(E)-benzylideneamino]-3-ethyl-1H-1,2,4-triazole-5-thione is 232.08 g/mol.
Where can I buy 4-[(E)-benzylideneamino]-3-ethyl-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-[(E)-benzylideneamino]-3-ethyl-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 4-[(E)-benzylideneamino]-3-ethyl-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-[(E)-benzylideneamino]-3-ethyl-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.