4-cyclopropyl-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione
TL;DR: 4-cyclopropyl-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione (CAS 828274-32-4) is a chemical compound with molecular formula C9H9N3OS and molecular weight 207.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyclopropyl-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-cyclopropyl-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione, 4-cyclopropyl-5-(2-furyl)-1,2,4-triazole-3-thiol, AP-853/43405475, 4-cyclopropyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl hydrosulfide, 4-cyclopropyl-5-(2-furyl)-2H-1,2,4-triazole-3-thione
| Molecular Formula | C9H9N3OS |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 2.53559 |
| Topological Polar Surface Area | 46.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.04663 |
| Heavy Atoms | 14 |
| Complexity | 492.3593 |
Chemical Identifiers
| CAS Number | 828274-32-4 |
|---|---|
| SMILES | C1CC1N2C(=NNC2=S)C3=CC=CO3 |
Product Overview
4-cyclopropyl-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione (CAS 828274-32-4), with molecular formula C9H9N3OS and molecular weight 207.05 g/mol. IUPAC: 4-cyclopropyl-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-cyclopropyl-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione
Property Insights of 4-cyclopropyl-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione
The XLogP value of 2.53559 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-cyclopropyl-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione. With a topological polar surface area (TPSA) of 46.75 Ų, 4-cyclopropyl-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-cyclopropyl-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione 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-cyclopropyl-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione?
The CAS number of 4-cyclopropyl-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione is 828274-32-4.
What is the molecular formula of 4-cyclopropyl-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-cyclopropyl-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione is C9H9N3OS.
What is the molecular weight of 4-cyclopropyl-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-cyclopropyl-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione is 207.05 g/mol.
Where can I buy 4-cyclopropyl-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-cyclopropyl-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-cyclopropyl-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-cyclopropyl-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.