![4-benzyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione structure](/static/products/5127/512795-65-2.webp)
4-benzyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
TL;DR: 4-benzyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione (CAS 512795-65-2) is a chemical compound with molecular formula C19H19N3OS and molecular weight 337.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-benzyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione, 5-((2-allylphenoxy)methyl)-4-benzyl-4H-1,2,4-triazole-3-thiol, 4-benzyl-5-{[2-(prop-2-en-1-yl)phenoxy]methyl}-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-BENZYL-5-{[2-(PROP-2-EN-1-YL)PHENOXY]METHYL}-4H-1,2,4-TRIAZOLE-3-THIOL
| Molecular Formula | C19H19N3OS |
|---|---|
| Molecular Weight | 337.12 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 69.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 337.12488 |
| Heavy Atoms | 24 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 512795-65-2 |
|---|---|
| SMILES | C=CCC1=CC=CC=C1OCC2=NNC(=S)N2CC3=CC=CC=C3 |
| InChIKey | QXWFTXQVVVWWJB-UHFFFAOYSA-N |
Product Overview
4-benzyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione (CAS 512795-65-2), with molecular formula C19H19N3OS and molecular weight 337.12 g/mol. IUPAC: 4-benzyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-benzyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
Property Insights of 4-benzyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
The XLogP value of 4.2 indicates that 4-benzyl-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-benzyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 4-benzyl-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-benzyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione?
The CAS number of 4-benzyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione is 512795-65-2.
What is the molecular formula of 4-benzyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-benzyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione is C19H19N3OS.
What is the molecular weight of 4-benzyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-benzyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione is 337.12 g/mol.
Where can I buy 4-benzyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-benzyl-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-benzyl-3-[(2-prop-2-enylphenoxy)methyl]-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-benzyl-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.