![4-prop-2-enyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione structure](/static/products/5127/512795-64-1.webp)
4-prop-2-enyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
TL;DR: 4-prop-2-enyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione (CAS 512795-64-1) is a chemical compound with molecular formula C15H17N3OS and molecular weight 287.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-prop-2-enyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: BAS 06262351, 4-prop-2-enyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione, 4-(prop-2-en-1-yl)-5-{[2-(prop-2-en-1-yl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol, 4-allyl-5-((2-allylphenoxy)methyl)-4H-1,2,4-triazole-3-thiol, 4-Allyl-5-(2-allyl-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol
| Molecular Formula | C15H17N3OS |
|---|---|
| Molecular Weight | 287.11 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 69.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 287.10922 |
| Heavy Atoms | 20 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 512795-64-1 |
|---|---|
| SMILES | C=CCC1=CC=CC=C1OCC2=NNC(=S)N2CC=C |
| InChIKey | BPESHTCZHMDJBL-UHFFFAOYSA-N |
Product Overview
4-prop-2-enyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione (CAS 512795-64-1), with molecular formula C15H17N3OS and molecular weight 287.11 g/mol. IUPAC: 4-prop-2-enyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-prop-2-enyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
Property Insights of 4-prop-2-enyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
The XLogP value of 3.4 indicates that 4-prop-2-enyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-prop-2-enyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 4-prop-2-enyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione 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 4-prop-2-enyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione?
The CAS number of 4-prop-2-enyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione is 512795-64-1.
What is the molecular formula of 4-prop-2-enyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-prop-2-enyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione is C15H17N3OS.
What is the molecular weight of 4-prop-2-enyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-prop-2-enyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione is 287.11 g/mol.
Where can I buy 4-prop-2-enyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-prop-2-enyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-prop-2-enyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-prop-2-enyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.