![4-[(4-ethylbenzylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol structure](/static/products/466/466645-31-8.png)
4-[(4-ethylbenzylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol
TL;DR: 4-[(4-ethylbenzylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol (CAS 466645-31-8) is a chemical compound with molecular formula C12H14N4S and molecular weight 246.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(4-ethylphenyl)methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 4-[(4-ethylbenzylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol, AS-871/41251058, 4-[(E)-[(4-ethylphenyl)methylidene]amino]-5-methyl-4H-1,2,4-triazole-3-thiol, 4-[(E)-(4-ethylphenyl)methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione, 4-[(1E)-2-(4-ethylphenyl)-1-azavinyl]-5-methyl-1,2,4-triazole-3-thiol
| Molecular Formula | C12H14N4S |
|---|---|
| Molecular Weight | 246.09 g/mol |
| LogP | 2.69371 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.09392 |
| Heavy Atoms | 17 |
| Complexity | 577.2983 |
Chemical Identifiers
| CAS Number | 466645-31-8 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C |
Product Overview
4-[(4-ethylbenzylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol (CAS 466645-31-8), with molecular formula C12H14N4S and molecular weight 246.09 g/mol. IUPAC: 4-[(E)-(4-ethylphenyl)methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[(4-ethylbenzylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol
Property Insights of 4-[(4-ethylbenzylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.69371 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(4-ethylbenzylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 45.97 Ų, 4-[(4-ethylbenzylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(4-ethylbenzylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol 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-[(4-ethylbenzylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-[(4-ethylbenzylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol is 466645-31-8.
What is the molecular formula of 4-[(4-ethylbenzylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-[(4-ethylbenzylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol is C12H14N4S.
What is the molecular weight of 4-[(4-ethylbenzylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-[(4-ethylbenzylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol is 246.09 g/mol.
Where can I buy 4-[(4-ethylbenzylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-[(4-ethylbenzylidene)amino]-5-methyl-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-[(4-ethylbenzylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-ethylbenzylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.