![5-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)thio]-2-furaldehyde structure](/static/products/7280/728035-62-9.webp)
5-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)thio]-2-furaldehyde
TL;DR: 5-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)thio]-2-furaldehyde (CAS 728035-62-9) is a chemical compound with molecular formula C9H9N3O2S and molecular weight 223.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-carbaldehyde
Also Known As: 5-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)thio]-2-furaldehyde, 5-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-2-furaldehyde, 8826AE, 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-carbaldehyde, 5-((4,5-Dimethyl-4H-1,2,4-triazol-3-yl)thio)furan-2-carbaldehyde
| Molecular Formula | C9H9N3O2S |
|---|---|
| Molecular Weight | 223.04 g/mol |
| LogP | 1.68022 |
| Topological Polar Surface Area | 60.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.04155 |
| Heavy Atoms | 15 |
| Complexity | 489.26385 |
Chemical Identifiers
| CAS Number | 728035-62-9 |
|---|---|
| SMILES | CC1=NN=C(N1C)SC2=CC=C(O2)C=O |
Product Overview
5-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)thio]-2-furaldehyde (CAS 728035-62-9), with molecular formula C9H9N3O2S and molecular weight 223.04 g/mol. IUPAC: 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-carbaldehyde.
Chemical Property Profile of 5-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)thio]-2-furaldehyde
Property Insights of 5-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)thio]-2-furaldehyde
The XLogP value of 1.68022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)thio]-2-furaldehyde. The TPSA of 60.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)thio]-2-furaldehyde. Following Lipinski's Rule of Five, 5-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)thio]-2-furaldehyde has 0 hydrogen bond donor(s) and 5 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-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)thio]-2-furaldehyde?
The CAS number of 5-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)thio]-2-furaldehyde is 728035-62-9.
What is the molecular formula of 5-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)thio]-2-furaldehyde?
The molecular formula of 5-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)thio]-2-furaldehyde is C9H9N3O2S.
What is the molecular weight of 5-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)thio]-2-furaldehyde?
The molecular weight of 5-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)thio]-2-furaldehyde is 223.04 g/mol.
Where can I buy 5-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)thio]-2-furaldehyde?
You can request a quote for 5-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)thio]-2-furaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)thio]-2-furaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)thio]-2-furaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.