![5-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol structure](/static/products/7330/733031-02-2.webp)
5-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol (CAS 733031-02-2) is a chemical compound with molecular formula C16H21N3OS and molecular weight 303.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-methyl-2-propan-2-ylphenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol, 4-allyl-5-[(2-isopropyl-5-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol, 3-[(5-methyl-2-propan-2-ylphenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione, 5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol, 4-Allyl-5-((2-isopropyl-5-methylphenoxy)methyl)-4h-1,2,4-triazole-3-thiol
| Molecular Formula | C16H21N3OS |
|---|---|
| Molecular Weight | 303.14 g/mol |
| LogP | 4.13751 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 303.14053 |
| Heavy Atoms | 21 |
| Complexity | 685.0708 |
Chemical Identifiers
| CAS Number | 733031-02-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)OCC2=NNC(=S)N2CC=C |
Product Overview
5-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol (CAS 733031-02-2), with molecular formula C16H21N3OS and molecular weight 303.14 g/mol. IUPAC: 3-[(5-methyl-2-propan-2-ylphenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.13751 indicates that 5-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4-(prop-2-en-1-yl)-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, 5-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol is 733031-02-2.
What is the molecular formula of 5-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol is C16H21N3OS.
What is the molecular weight of 5-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol is 303.14 g/mol.
Where can I buy 5-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4-(prop-2-en-1-yl)-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-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.