5-(2-furyl)-4-isopropyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(2-furyl)-4-isopropyl-4H-1,2,4-triazole-3-thiol (CAS 790725-77-8) is a chemical compound with molecular formula C9H11N3OS and molecular weight 209.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-yl)-4-propan-2-yl-1H-1,2,4-triazole-5-thione
Also Known As: 5-(2-furyl)-4-isopropyl-4H-1,2,4-triazole-3-thiol, KSC-19-280, 5-(furan-2-yl)-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiol, 5-(Furan-2-yl)-4-isopropyl-4H-1,2,4-triazole-3-thiol, 3-(furan-2-yl)-4-propan-2-yl-1H-1,2,4-triazole-5-thione
| Molecular Formula | C9H11N3OS |
|---|---|
| Molecular Weight | 209.06 g/mol |
| LogP | 2.78159 |
| Topological Polar Surface Area | 46.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.06229 |
| Heavy Atoms | 14 |
| Complexity | 466.46344 |
Chemical Identifiers
| CAS Number | 790725-77-8 |
|---|---|
| SMILES | CC(C)N1C(=NNC1=S)C2=CC=CO2 |
Product Overview
5-(2-furyl)-4-isopropyl-4H-1,2,4-triazole-3-thiol (CAS 790725-77-8), with molecular formula C9H11N3OS and molecular weight 209.06 g/mol. IUPAC: 3-(furan-2-yl)-4-propan-2-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(2-furyl)-4-isopropyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(2-furyl)-4-isopropyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.78159 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-furyl)-4-isopropyl-4H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 46.75 Ų, 5-(2-furyl)-4-isopropyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-furyl)-4-isopropyl-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-furyl)-4-isopropyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(2-furyl)-4-isopropyl-4H-1,2,4-triazole-3-thiol is 790725-77-8.
What is the molecular formula of 5-(2-furyl)-4-isopropyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(2-furyl)-4-isopropyl-4H-1,2,4-triazole-3-thiol is C9H11N3OS.
What is the molecular weight of 5-(2-furyl)-4-isopropyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(2-furyl)-4-isopropyl-4H-1,2,4-triazole-3-thiol is 209.06 g/mol.
Where can I buy 5-(2-furyl)-4-isopropyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(2-furyl)-4-isopropyl-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-furyl)-4-isopropyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-furyl)-4-isopropyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.