![5-(4-tert-butylphenyl)-4-{[(E)-(4-propoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol structure](/static/products/430/430449-29-9.png)
5-(4-tert-butylphenyl)-4-{[(E)-(4-propoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(4-tert-butylphenyl)-4-{[(E)-(4-propoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol (CAS 430449-29-9) is a chemical compound with molecular formula C22H26N4OS and molecular weight 394.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 5-(4-tert-butylphenyl)-4-{[(E)-(4-propoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol, 3-(4-tert-butylphenyl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, (E)-5-(4-(tert-butyl)phenyl)-4-((4-propoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(4-propoxyphenyl)-1-azavinyl]-5-[4-(tert-butyl)phenyl]-1,2,4-triazol e-3-thiol, 5-(4-tert-butylphenyl)-4-{[(E)-(4-propoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C22H26N4OS |
|---|---|
| Molecular Weight | 394.18 g/mol |
| LogP | 5.57619 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.18274 |
| Heavy Atoms | 28 |
| Complexity | 992.7563 |
Chemical Identifiers
| CAS Number | 430449-29-9 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=C(C=C3)C(C)(C)C |
Product Overview
5-(4-tert-butylphenyl)-4-{[(E)-(4-propoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol (CAS 430449-29-9), with molecular formula C22H26N4OS and molecular weight 394.18 g/mol. IUPAC: 3-(4-tert-butylphenyl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(4-tert-butylphenyl)-4-{[(E)-(4-propoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(4-tert-butylphenyl)-4-{[(E)-(4-propoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.57619 indicates that 5-(4-tert-butylphenyl)-4-{[(E)-(4-propoxyphenyl)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)-(4-propoxyphenyl)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)-(4-propoxyphenyl)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)-(4-propoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(4-tert-butylphenyl)-4-{[(E)-(4-propoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol is 430449-29-9.
What is the molecular formula of 5-(4-tert-butylphenyl)-4-{[(E)-(4-propoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(4-tert-butylphenyl)-4-{[(E)-(4-propoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol is C22H26N4OS.
What is the molecular weight of 5-(4-tert-butylphenyl)-4-{[(E)-(4-propoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(4-tert-butylphenyl)-4-{[(E)-(4-propoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol is 394.18 g/mol.
Where can I buy 5-(4-tert-butylphenyl)-4-{[(E)-(4-propoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(4-tert-butylphenyl)-4-{[(E)-(4-propoxyphenyl)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)-(4-propoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-tert-butylphenyl)-4-{[(E)-(4-propoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.