![5-ethyl-4-[(4-methylbenzylidene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide structure](/static/products/428/428474-36-6.png)
5-ethyl-4-[(4-methylbenzylidene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide
TL;DR: 5-ethyl-4-[(4-methylbenzylidene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide (CAS 428474-36-6) 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.
3-ethyl-4-[(E)-(4-methylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 5-ethyl-4-[(4-methylbenzylidene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide, AO-081/15245100, 3-ethyl-4-[(E)-(4-methylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
| 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 | 428474-36-6 |
|---|---|
| SMILES | CCC1=NNC(=S)N1/N=C/C2=CC=C(C=C2)C |
Product Overview
5-ethyl-4-[(4-methylbenzylidene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide (CAS 428474-36-6), with molecular formula C12H14N4S and molecular weight 246.09 g/mol. IUPAC: 3-ethyl-4-[(E)-(4-methylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-ethyl-4-[(4-methylbenzylidene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide
Property Insights of 5-ethyl-4-[(4-methylbenzylidene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide
The XLogP value of 2.69371 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-ethyl-4-[(4-methylbenzylidene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide. With a topological polar surface area (TPSA) of 45.97 Ų, 5-ethyl-4-[(4-methylbenzylidene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-ethyl-4-[(4-methylbenzylidene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide 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 5-ethyl-4-[(4-methylbenzylidene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide?
The CAS number of 5-ethyl-4-[(4-methylbenzylidene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide is 428474-36-6.
What is the molecular formula of 5-ethyl-4-[(4-methylbenzylidene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide?
The molecular formula of 5-ethyl-4-[(4-methylbenzylidene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide is C12H14N4S.
What is the molecular weight of 5-ethyl-4-[(4-methylbenzylidene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide?
The molecular weight of 5-ethyl-4-[(4-methylbenzylidene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide is 246.09 g/mol.
Where can I buy 5-ethyl-4-[(4-methylbenzylidene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide?
You can request a quote for 5-ethyl-4-[(4-methylbenzylidene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-ethyl-4-[(4-methylbenzylidene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide?
Yes, KEHONG BIO provides custom synthesis services for 5-ethyl-4-[(4-methylbenzylidene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.