5-(2-methyl-3-furyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(2-methyl-3-furyl)-4-phenyl-4H-1,2,4-triazole-3-thiol (CAS 346464-59-3) 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-(2-methylfuran-3-yl)-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-(2-methyl-3-furyl)-4-phenyl-4H-1,2,4-triazole-3-thiol, 5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol, 3,4,6-trichloro-2-methyl-aniline, 3-(2-methylfuran-3-yl)-4-phenyl-1H-1,2,4-triazole-5-thione, 5-(2-methyl(3-furyl))-4-phenyl-1,2,4-triazole-3-thiol
| Molecular Formula | C13H11N3OS |
|---|---|
| Molecular Weight | 257.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.0623 |
| Heavy Atoms | 18 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 346464-59-3 |
|---|---|
| SMILES | CC1=C(C=CO1)C2=NNC(=S)N2C3=CC=CC=C3 |
| InChIKey | UGMHSMHHRNSVFZ-UHFFFAOYSA-N |
Product Overview
5-(2-methyl-3-furyl)-4-phenyl-4H-1,2,4-triazole-3-thiol (CAS 346464-59-3), with molecular formula C13H11N3OS and molecular weight 257.06 g/mol. IUPAC: 3-(2-methylfuran-3-yl)-4-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(2-methyl-3-furyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(2-methyl-3-furyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-methyl-3-furyl)-4-phenyl-4H-1,2,4-triazole-3-thiol. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-methyl-3-furyl)-4-phenyl-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-(2-methyl-3-furyl)-4-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 5-(2-methyl-3-furyl)-4-phenyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(2-methyl-3-furyl)-4-phenyl-4H-1,2,4-triazole-3-thiol is 346464-59-3.
What is the molecular formula of 5-(2-methyl-3-furyl)-4-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(2-methyl-3-furyl)-4-phenyl-4H-1,2,4-triazole-3-thiol is C13H11N3OS.
What is the molecular weight of 5-(2-methyl-3-furyl)-4-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(2-methyl-3-furyl)-4-phenyl-4H-1,2,4-triazole-3-thiol is 257.06 g/mol.
Where can I buy 5-(2-methyl-3-furyl)-4-phenyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(2-methyl-3-furyl)-4-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 5-(2-methyl-3-furyl)-4-phenyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-methyl-3-furyl)-4-phenyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.