![4-allyl-5-{[4-(1-methyl-1-phenylethyl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol structure](/static/products/4438/443863-07-8.webp)
4-allyl-5-{[4-(1-methyl-1-phenylethyl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol
TL;DR: 4-allyl-5-{[4-(1-methyl-1-phenylethyl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol (CAS 443863-07-8) is a chemical compound with molecular formula C21H23N3OS and molecular weight 365.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Also Known As: 4-allyl-5-{[4-(1-methyl-1-phenylethyl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol, 4-Allyl-5-((4-(2-phenylpropan-2-yl)phenoxy)methyl)-4H-1,2,4-triazole-3-thiol, 4-Allyl-5-([4-(1-methyl-1-phenylethyl)phenoxy]methyl)-4h-1,2,4-triazole-3-thiol, 5-{[4-(2-phenylpropan-2-yl)phenoxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol, 3-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
| Molecular Formula | C21H23N3OS |
|---|---|
| Molecular Weight | 365.16 g/mol |
| LogP | 5.03159 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 365.1562 |
| Heavy Atoms | 26 |
| Complexity | 923.89496 |
Chemical Identifiers
| CAS Number | 443863-07-8 |
|---|---|
| SMILES | CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC3=NNC(=S)N3CC=C |
Product Overview
4-allyl-5-{[4-(1-methyl-1-phenylethyl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol (CAS 443863-07-8), with molecular formula C21H23N3OS and molecular weight 365.16 g/mol. IUPAC: 3-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-allyl-5-{[4-(1-methyl-1-phenylethyl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol
Property Insights of 4-allyl-5-{[4-(1-methyl-1-phenylethyl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.03159 indicates that 4-allyl-5-{[4-(1-methyl-1-phenylethyl)phenoxy]methyl}-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 42.84 Ų, 4-allyl-5-{[4-(1-methyl-1-phenylethyl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-allyl-5-{[4-(1-methyl-1-phenylethyl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-allyl-5-{[4-(1-methyl-1-phenylethyl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-allyl-5-{[4-(1-methyl-1-phenylethyl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol is 443863-07-8.
What is the molecular formula of 4-allyl-5-{[4-(1-methyl-1-phenylethyl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-allyl-5-{[4-(1-methyl-1-phenylethyl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol is C21H23N3OS.
What is the molecular weight of 4-allyl-5-{[4-(1-methyl-1-phenylethyl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-allyl-5-{[4-(1-methyl-1-phenylethyl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol is 365.16 g/mol.
Where can I buy 4-allyl-5-{[4-(1-methyl-1-phenylethyl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-allyl-5-{[4-(1-methyl-1-phenylethyl)phenoxy]methyl}-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 4-allyl-5-{[4-(1-methyl-1-phenylethyl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-allyl-5-{[4-(1-methyl-1-phenylethyl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.