![4-Allyl-5-(2-methoxy-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol structure](/static/products/7929/792941-75-4.webp)
4-Allyl-5-(2-methoxy-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol
TL;DR: 4-Allyl-5-(2-methoxy-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol (CAS 792941-75-4) is a chemical compound with molecular formula C13H15N3O2S and molecular weight 277.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-methoxyphenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Also Known As: BAS 08863312, 4-Allyl-5-(2-methoxy-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol, BB 0217503, 4-Allyl-5-(2-methoxy-phenoxymethyl)-4H-[1,2, 4]triazole-3-thiol, 3-[(2-methoxyphenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
| Molecular Formula | C13H15N3O2S |
|---|---|
| Molecular Weight | 277.09 g/mol |
| LogP | 2.71429 |
| Topological Polar Surface Area | 52.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 277.0885 |
| Heavy Atoms | 19 |
| Complexity | 618.34607 |
Chemical Identifiers
| CAS Number | 792941-75-4 |
|---|---|
| SMILES | COC1=CC=CC=C1OCC2=NNC(=S)N2CC=C |
Product Overview
4-Allyl-5-(2-methoxy-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol (CAS 792941-75-4), with molecular formula C13H15N3O2S and molecular weight 277.09 g/mol. IUPAC: 3-[(2-methoxyphenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-Allyl-5-(2-methoxy-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol
Property Insights of 4-Allyl-5-(2-methoxy-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol
The XLogP value of 2.71429 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Allyl-5-(2-methoxy-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol. With a topological polar surface area (TPSA) of 52.07 Ų, 4-Allyl-5-(2-methoxy-phenoxymethyl)-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-(2-methoxy-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol has 1 hydrogen bond donor(s) and 4 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-Allyl-5-(2-methoxy-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol?
The CAS number of 4-Allyl-5-(2-methoxy-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol is 792941-75-4.
What is the molecular formula of 4-Allyl-5-(2-methoxy-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol?
The molecular formula of 4-Allyl-5-(2-methoxy-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol is C13H15N3O2S.
What is the molecular weight of 4-Allyl-5-(2-methoxy-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol?
The molecular weight of 4-Allyl-5-(2-methoxy-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol is 277.09 g/mol.
Where can I buy 4-Allyl-5-(2-methoxy-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol?
You can request a quote for 4-Allyl-5-(2-methoxy-phenoxymethyl)-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-(2-methoxy-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Allyl-5-(2-methoxy-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.