![5-(4-tert-butylphenyl)-4-{[(E)-(2-methoxynaphthalen-1-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol structure](/static/products/489/489444-06-6.png)
5-(4-tert-butylphenyl)-4-{[(E)-(2-methoxynaphthalen-1-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(4-tert-butylphenyl)-4-{[(E)-(2-methoxynaphthalen-1-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol (CAS 489444-06-6) is a chemical compound with molecular formula C24H24N4OS and molecular weight 416.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-4-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 5-(4-tert-butylphenyl)-4-{[(E)-(2-methoxynaphthalen-1-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol, (E)-5-(4-(tert-butyl)phenyl)-4-(((2-methoxynaphthalen-1-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol, 3-(4-tert-butylphenyl)-4-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazole-5-thione, 4-[(1E)-2-(2-methoxynaphthyl)-1-azavinyl]-5-[4-(tert-butyl)phenyl]-1,2,4-triaz ole-3-thiol, 5-(4-TERT-BUTYLPHENYL)-4-{[(E)-(2-METHOXY-1-NAPHTHYL)METHYLIDENE]AMINO}-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE
| Molecular Formula | C24H24N4OS |
|---|---|
| Molecular Weight | 416.17 g/mol |
| LogP | 5.94919 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.16708 |
| Heavy Atoms | 30 |
| Complexity | 1277.2977 |
Chemical Identifiers
| CAS Number | 489444-06-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=C(C=CC4=CC=CC=C43)OC |
Product Overview
5-(4-tert-butylphenyl)-4-{[(E)-(2-methoxynaphthalen-1-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol (CAS 489444-06-6), with molecular formula C24H24N4OS and molecular weight 416.17 g/mol. IUPAC: 3-(4-tert-butylphenyl)-4-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(4-tert-butylphenyl)-4-{[(E)-(2-methoxynaphthalen-1-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(4-tert-butylphenyl)-4-{[(E)-(2-methoxynaphthalen-1-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.94919 indicates that 5-(4-tert-butylphenyl)-4-{[(E)-(2-methoxynaphthalen-1-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, 5-(4-tert-butylphenyl)-4-{[(E)-(2-methoxynaphthalen-1-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-tert-butylphenyl)-4-{[(E)-(2-methoxynaphthalen-1-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(4-tert-butylphenyl)-4-{[(E)-(2-methoxynaphthalen-1-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(4-tert-butylphenyl)-4-{[(E)-(2-methoxynaphthalen-1-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol is 489444-06-6.
What is the molecular formula of 5-(4-tert-butylphenyl)-4-{[(E)-(2-methoxynaphthalen-1-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(4-tert-butylphenyl)-4-{[(E)-(2-methoxynaphthalen-1-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol is C24H24N4OS.
What is the molecular weight of 5-(4-tert-butylphenyl)-4-{[(E)-(2-methoxynaphthalen-1-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(4-tert-butylphenyl)-4-{[(E)-(2-methoxynaphthalen-1-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol is 416.17 g/mol.
Where can I buy 5-(4-tert-butylphenyl)-4-{[(E)-(2-methoxynaphthalen-1-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(4-tert-butylphenyl)-4-{[(E)-(2-methoxynaphthalen-1-yl)methylidene]amino}-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 5-(4-tert-butylphenyl)-4-{[(E)-(2-methoxynaphthalen-1-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-tert-butylphenyl)-4-{[(E)-(2-methoxynaphthalen-1-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.