4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazole-3-thiol (CAS 537017-48-4) 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.
4-(furan-2-ylmethyl)-3-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazole-3-thiol, 4-(2-furylmethyl)-5-phenyl-4H-1,2,4-triazole-3-thiol, 4-(furan-2-ylmethyl)-3-phenyl-1H-1,2,4-triazole-5-thione, AB00721569-01, 4-[(furan-2-yl)methyl]-5-phenyl-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C13H11N3OS |
|---|---|
| Molecular Weight | 257.06 g/mol |
| LogP | 3.24899 |
| 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 | 682.612 |
Chemical Identifiers
| CAS Number | 537017-48-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=S)N2CC3=CC=CO3 |
Product Overview
4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazole-3-thiol (CAS 537017-48-4), with molecular formula C13H11N3OS and molecular weight 257.06 g/mol. IUPAC: 4-(furan-2-ylmethyl)-3-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.24899 indicates that 4-(furan-2-ylmethyl)-5-phenyl-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-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(furan-2-ylmethyl)-5-phenyl-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-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazole-3-thiol is 537017-48-4.
What is the molecular formula of 4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazole-3-thiol is C13H11N3OS.
What is the molecular weight of 4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazole-3-thiol is 257.06 g/mol.
Where can I buy 4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(furan-2-ylmethyl)-5-phenyl-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-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.