![2-[[4-Butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone structure](/static/products/6061/606111-41-5.webp)
2-[[4-Butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone
TL;DR: 2-[[4-Butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone (CAS 606111-41-5) is a chemical compound with molecular formula C16H17N3O2S2 and molecular weight 347.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone
Also Known As: Ethanone,2-[[4-butyl-5- -4H-1,2,4-triazol-3-yl]thio]-1- -, 2-[[4-butyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-ethanone, 2-[[4-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone, ETHANONE, 2-[[4-BUTYL-5-(2-FURANYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]-1-(2-THIENYL)-, Ethanone, 2-[[4-butyl-5-(2-furanyl)-4H-1,2,4-triazol-3-yl]thio]-1-(2-thienyl)- (9CI)
| Molecular Formula | C16H17N3O2S2 |
|---|---|
| Molecular Weight | 347.08 g/mol |
| LogP | 4.3747 |
| Topological Polar Surface Area | 60.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 347.07623 |
| Heavy Atoms | 23 |
| Complexity | 748.49695 |
Chemical Identifiers
| CAS Number | 606111-41-5 |
|---|---|
| SMILES | CCCCN1C(=NN=C1SCC(=O)C2=CC=CS2)C3=CC=CO3 |
Product Overview
2-[[4-Butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone (CAS 606111-41-5), with molecular formula C16H17N3O2S2 and molecular weight 347.08 g/mol. IUPAC: 2-[[4-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone.
Chemical Property Profile of 2-[[4-Butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone
Property Insights of 2-[[4-Butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone
The XLogP value of 4.3747 indicates that 2-[[4-Butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[4-Butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone. Following Lipinski's Rule of Five, 2-[[4-Butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone has 0 hydrogen bond donor(s) and 6 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 2-[[4-Butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone?
The CAS number of 2-[[4-Butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone is 606111-41-5.
What is the molecular formula of 2-[[4-Butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone?
The molecular formula of 2-[[4-Butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone is C16H17N3O2S2.
What is the molecular weight of 2-[[4-Butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone?
The molecular weight of 2-[[4-Butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone is 347.08 g/mol.
Where can I buy 2-[[4-Butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone?
You can request a quote for 2-[[4-Butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[4-Butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-Butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.