4-benzyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-benzyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazole-3-thiol (CAS 438236-94-3) is a chemical compound with molecular formula C14H13N3OS and molecular weight 271.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-3-(2-methylfuran-3-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-benzyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazole-3-thiol, 4-benzyl-5-(2-methyl-3-furyl)-4H-1,2,4-triazole-3-thiol, AB00721424-01, 4-benzyl-3-(2-methylfuran-3-yl)-1H-1,2,4-triazole-5-thione, 5-(2-methyl(3-furyl))-4-benzyl-1,2,4-triazole-3-thiol
| Molecular Formula | C14H13N3OS |
|---|---|
| Molecular Weight | 271.08 g/mol |
| LogP | 3.55741 |
| Topological Polar Surface Area | 46.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.07794 |
| Heavy Atoms | 19 |
| Complexity | 739.3993 |
Chemical Identifiers
| CAS Number | 438236-94-3 |
|---|---|
| SMILES | CC1=C(C=CO1)C2=NNC(=S)N2CC3=CC=CC=C3 |
Product Overview
4-benzyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazole-3-thiol (CAS 438236-94-3), with molecular formula C14H13N3OS and molecular weight 271.08 g/mol. IUPAC: 4-benzyl-3-(2-methylfuran-3-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-benzyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-benzyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.55741 indicates that 4-benzyl-5-(2-methylfuran-3-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-benzyl-5-(2-methylfuran-3-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-benzyl-5-(2-methylfuran-3-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-benzyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-benzyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazole-3-thiol is 438236-94-3.
What is the molecular formula of 4-benzyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-benzyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazole-3-thiol is C14H13N3OS.
What is the molecular weight of 4-benzyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-benzyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazole-3-thiol is 271.08 g/mol.
Where can I buy 4-benzyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-benzyl-5-(2-methylfuran-3-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-benzyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-benzyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.