3-(2-furyl)-5-(methylthio)-1-(phenylsulfonyl)-1H-1,2,4-triazole
TL;DR: 3-(2-furyl)-5-(methylthio)-1-(phenylsulfonyl)-1H-1,2,4-triazole (CAS 700851-63-4) is a chemical compound with molecular formula C13H11N3O3S2 and molecular weight 321.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)-3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazole
Also Known As: AE-848/42592510, 3-(2-furyl)-5-(methylthio)-1-(phenylsulfonyl)-1H-1,2,4-triazole, 1-(benzenesulfonyl)-3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazole, 3-(2-furyl)-1-(phenylsulfonyl)-1H-1,2,4-triazol-5-yl methyl sulfide, 3-(Furan-2-yl)-5-(methylthio)-1-(phenylsulfonyl)-1H-1,2,4-triazole
| Molecular Formula | C13H11N3O3S2 |
|---|---|
| Molecular Weight | 321.02 g/mol |
| LogP | 2.497 |
| Topological Polar Surface Area | 77.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.02417 |
| Heavy Atoms | 21 |
| Complexity | 840.18604 |
Chemical Identifiers
| CAS Number | 700851-63-4 |
|---|---|
| SMILES | CSC1=NC(=NN1S(=O)(=O)C2=CC=CC=C2)C3=CC=CO3 |
Product Overview
3-(2-furyl)-5-(methylthio)-1-(phenylsulfonyl)-1H-1,2,4-triazole (CAS 700851-63-4), with molecular formula C13H11N3O3S2 and molecular weight 321.02 g/mol. IUPAC: 1-(benzenesulfonyl)-3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazole.
Chemical Property Profile of 3-(2-furyl)-5-(methylthio)-1-(phenylsulfonyl)-1H-1,2,4-triazole
Property Insights of 3-(2-furyl)-5-(methylthio)-1-(phenylsulfonyl)-1H-1,2,4-triazole
The XLogP value of 2.497 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-furyl)-5-(methylthio)-1-(phenylsulfonyl)-1H-1,2,4-triazole. The TPSA of 77.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-furyl)-5-(methylthio)-1-(phenylsulfonyl)-1H-1,2,4-triazole. Following Lipinski's Rule of Five, 3-(2-furyl)-5-(methylthio)-1-(phenylsulfonyl)-1H-1,2,4-triazole 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 3-(2-furyl)-5-(methylthio)-1-(phenylsulfonyl)-1H-1,2,4-triazole?
The CAS number of 3-(2-furyl)-5-(methylthio)-1-(phenylsulfonyl)-1H-1,2,4-triazole is 700851-63-4.
What is the molecular formula of 3-(2-furyl)-5-(methylthio)-1-(phenylsulfonyl)-1H-1,2,4-triazole?
The molecular formula of 3-(2-furyl)-5-(methylthio)-1-(phenylsulfonyl)-1H-1,2,4-triazole is C13H11N3O3S2.
What is the molecular weight of 3-(2-furyl)-5-(methylthio)-1-(phenylsulfonyl)-1H-1,2,4-triazole?
The molecular weight of 3-(2-furyl)-5-(methylthio)-1-(phenylsulfonyl)-1H-1,2,4-triazole is 321.02 g/mol.
Where can I buy 3-(2-furyl)-5-(methylthio)-1-(phenylsulfonyl)-1H-1,2,4-triazole?
You can request a quote for 3-(2-furyl)-5-(methylthio)-1-(phenylsulfonyl)-1H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-furyl)-5-(methylthio)-1-(phenylsulfonyl)-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-furyl)-5-(methylthio)-1-(phenylsulfonyl)-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.