![4-[5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline structure](/static/products/6927/692775-42-1.webp)
4-[5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline
TL;DR: 4-[5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline (CAS 692775-42-1) is a chemical compound with molecular formula C22H28N4S and molecular weight 380.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline
Also Known As: 4-[5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline, 4-{5-[(4-tert-butyl-2,6-dimethylbenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}aniline
| Molecular Formula | C22H28N4S |
|---|---|
| Molecular Weight | 380.20 g/mol |
| LogP | 5.27094 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.20346 |
| Heavy Atoms | 27 |
| Complexity | 926.4295 |
Chemical Identifiers
| CAS Number | 692775-42-1 |
|---|---|
| SMILES | CC1=CC(=CC(=C1CSC2=NN=C(N2C)C3=CC=C(C=C3)N)C)C(C)(C)C |
Product Overview
4-[5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline (CAS 692775-42-1), with molecular formula C22H28N4S and molecular weight 380.20 g/mol. IUPAC: 4-[5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline.
Chemical Property Profile of 4-[5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline
Property Insights of 4-[5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline
The XLogP value of 5.27094 indicates that 4-[5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.73 Ų, 4-[5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline 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 4-[5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline?
The CAS number of 4-[5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline is 692775-42-1.
What is the molecular formula of 4-[5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline?
The molecular formula of 4-[5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline is C22H28N4S.
What is the molecular weight of 4-[5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline?
The molecular weight of 4-[5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline is 380.20 g/mol.
Where can I buy 4-[5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline?
You can request a quote for 4-[5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-[5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.