5-(2-Furanyl)-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione
TL;DR: 5-(2-Furanyl)-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione (CAS 6135-48-4) 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.
3-(furan-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Also Known As: 4-Allyl-5-furan-2-yl-4H-[1,2,4]triazole-3-thiol, 4-allyl-5-(2-furyl)-4H-1,2,4-triazole-3-thiol, RARECHEM BG FB 0096, ZERO/001707, 4-Allyl-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C9H9N3OS |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.04663 |
| Heavy Atoms | 14 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 6135-48-4 |
|---|---|
| SMILES | C=CCN1C(=NNC1=S)C2=CC=CO2 |
| InChIKey | YSDWGZLERHARHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(2-Furanyl)-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione (CAS 6135-48-4), with molecular formula C9H9N3OS and molecular weight 207.05 g/mol. IUPAC: 3-(furan-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(2-Furanyl)-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione
Property Insights of 5-(2-Furanyl)-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Furanyl)-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Furanyl)-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione. Following Lipinski's Rule of Five, 5-(2-Furanyl)-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-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 5-(2-Furanyl)-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione?
The CAS number of 5-(2-Furanyl)-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione is 6135-48-4.
What is the molecular formula of 5-(2-Furanyl)-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione?
The molecular formula of 5-(2-Furanyl)-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione is C9H9N3OS.
What is the molecular weight of 5-(2-Furanyl)-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione?
The molecular weight of 5-(2-Furanyl)-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione is 207.05 g/mol.
Where can I buy 5-(2-Furanyl)-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione?
You can request a quote for 5-(2-Furanyl)-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-Furanyl)-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Furanyl)-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.