![4-Allyl-5-benzofuran-2-yl-4H-[1,2,4]triazole-3-thiol structure](/static/products/5737/573705-60-9.webp)
4-Allyl-5-benzofuran-2-yl-4H-[1,2,4]triazole-3-thiol
TL;DR: 4-Allyl-5-benzofuran-2-yl-4H-[1,2,4]triazole-3-thiol (CAS 573705-60-9) is a chemical compound with molecular formula C13H11N3OS and molecular weight 257.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzofuran-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Also Known As: BAS 08865782, 4-Allyl-5-benzofuran-2-yl-4H-[1,2,4]triazole-3-thiol, BB 0217162, 5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol, 4-allyl-5-(benzofuran-2-yl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C13H11N3OS |
|---|---|
| Molecular Weight | 257.06 g/mol |
| LogP | 3.53989 |
| Topological Polar Surface Area | 46.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.0623 |
| Heavy Atoms | 18 |
| Complexity | 732.7334 |
Chemical Identifiers
| CAS Number | 573705-60-9 |
|---|---|
| SMILES | C=CCN1C(=NNC1=S)C2=CC3=CC=CC=C3O2 |
Product Overview
4-Allyl-5-benzofuran-2-yl-4H-[1,2,4]triazole-3-thiol (CAS 573705-60-9), with molecular formula C13H11N3OS and molecular weight 257.06 g/mol. IUPAC: 3-(1-benzofuran-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-Allyl-5-benzofuran-2-yl-4H-[1,2,4]triazole-3-thiol
Property Insights of 4-Allyl-5-benzofuran-2-yl-4H-[1,2,4]triazole-3-thiol
The XLogP value of 3.53989 indicates that 4-Allyl-5-benzofuran-2-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 46.75 Ų, 4-Allyl-5-benzofuran-2-yl-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-benzofuran-2-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 4-Allyl-5-benzofuran-2-yl-4H-[1,2,4]triazole-3-thiol?
The CAS number of 4-Allyl-5-benzofuran-2-yl-4H-[1,2,4]triazole-3-thiol is 573705-60-9.
What is the molecular formula of 4-Allyl-5-benzofuran-2-yl-4H-[1,2,4]triazole-3-thiol?
The molecular formula of 4-Allyl-5-benzofuran-2-yl-4H-[1,2,4]triazole-3-thiol is C13H11N3OS.
What is the molecular weight of 4-Allyl-5-benzofuran-2-yl-4H-[1,2,4]triazole-3-thiol?
The molecular weight of 4-Allyl-5-benzofuran-2-yl-4H-[1,2,4]triazole-3-thiol is 257.06 g/mol.
Where can I buy 4-Allyl-5-benzofuran-2-yl-4H-[1,2,4]triazole-3-thiol?
You can request a quote for 4-Allyl-5-benzofuran-2-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 4-Allyl-5-benzofuran-2-yl-4H-[1,2,4]triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Allyl-5-benzofuran-2-yl-4H-[1,2,4]triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.