![3-(4-tert-butylphenyl)-5-[(2,6-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine structure](/static/products/5776/577696-97-0.webp)
3-(4-tert-butylphenyl)-5-[(2,6-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine
TL;DR: 3-(4-tert-butylphenyl)-5-[(2,6-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine (CAS 577696-97-0) is a chemical compound with molecular formula C19H20Cl2N4S and molecular weight 406.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-5-[(2,6-dichlorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
Also Known As: 3-(4-tert-butylphenyl)-5-[(2,6-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine, 3-(4-(tert-butyl)phenyl)-5-((2,6-dichlorobenzyl)thio)-4H-1,2,4-triazol-4-amine, 3-(4-tert-butylphenyl)-5-[(2,6-dichlorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine, 3-[(2,6-dichlorophenyl)methylthio]-5-[4-(tert-butyl)phenyl]-1,2,4-triazole-4-y lamine
| Molecular Formula | C19H20Cl2N4S |
|---|---|
| Molecular Weight | 406.08 g/mol |
| LogP | 5.5555 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.07858 |
| Heavy Atoms | 26 |
| Complexity | 894.0288 |
Chemical Identifiers
| CAS Number | 577696-97-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCC3=C(C=CC=C3Cl)Cl |
Product Overview
3-(4-tert-butylphenyl)-5-[(2,6-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine (CAS 577696-97-0), with molecular formula C19H20Cl2N4S and molecular weight 406.08 g/mol. IUPAC: 3-(4-tert-butylphenyl)-5-[(2,6-dichlorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-(4-tert-butylphenyl)-5-[(2,6-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine
Property Insights of 3-(4-tert-butylphenyl)-5-[(2,6-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine
The XLogP value of 5.5555 indicates that 3-(4-tert-butylphenyl)-5-[(2,6-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.73 Ų, 3-(4-tert-butylphenyl)-5-[(2,6-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-tert-butylphenyl)-5-[(2,6-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine 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 3-(4-tert-butylphenyl)-5-[(2,6-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine?
The CAS number of 3-(4-tert-butylphenyl)-5-[(2,6-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine is 577696-97-0.
What is the molecular formula of 3-(4-tert-butylphenyl)-5-[(2,6-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine?
The molecular formula of 3-(4-tert-butylphenyl)-5-[(2,6-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine is C19H20Cl2N4S.
What is the molecular weight of 3-(4-tert-butylphenyl)-5-[(2,6-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine?
The molecular weight of 3-(4-tert-butylphenyl)-5-[(2,6-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine is 406.08 g/mol.
Where can I buy 3-(4-tert-butylphenyl)-5-[(2,6-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine?
You can request a quote for 3-(4-tert-butylphenyl)-5-[(2,6-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-tert-butylphenyl)-5-[(2,6-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-tert-butylphenyl)-5-[(2,6-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.