5-(furan-2-yl)-3-methylsulfanyl-1H-1,2,4-triazole
TL;DR: 5-(furan-2-yl)-3-methylsulfanyl-1H-1,2,4-triazole (CAS 61323-51-1) is a chemical compound with molecular formula C7H7N3OS and molecular weight 181.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(furan-2-yl)-3-methylsulfanyl-1H-1,2,4-triazole
Also Known As: Maybridge3_006756, 5-(furan-2-yl)-3-methylsulfanyl-1H-1,2,4-triazole, IDI1_018143, 1H-1,2,4-Triazole, 3-(2-furanyl)-5-(methylthio)-, 3-(furan-2-yl)-5-(methylsulfanyl)-4H-1,2,4-triazole
| Molecular Formula | C7H7N3OS |
|---|---|
| Molecular Weight | 181.03 g/mol |
| LogP | 1.7866 |
| Topological Polar Surface Area | 54.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.03099 |
| Heavy Atoms | 12 |
| Complexity | 354.375 |
Chemical Identifiers
| CAS Number | 61323-51-1 |
|---|---|
| SMILES | CSC1=NNC(=N1)C2=CC=CO2 |
Product Overview
5-(furan-2-yl)-3-methylsulfanyl-1H-1,2,4-triazole (CAS 61323-51-1), with molecular formula C7H7N3OS and molecular weight 181.03 g/mol. IUPAC: 5-(furan-2-yl)-3-methylsulfanyl-1H-1,2,4-triazole.
Chemical Property Profile of 5-(furan-2-yl)-3-methylsulfanyl-1H-1,2,4-triazole
Property Insights of 5-(furan-2-yl)-3-methylsulfanyl-1H-1,2,4-triazole
The XLogP value of 1.7866 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(furan-2-yl)-3-methylsulfanyl-1H-1,2,4-triazole. With a topological polar surface area (TPSA) of 54.71 Ų, 5-(furan-2-yl)-3-methylsulfanyl-1H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(furan-2-yl)-3-methylsulfanyl-1H-1,2,4-triazole has 1 hydrogen bond donor(s) and 4 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-(furan-2-yl)-3-methylsulfanyl-1H-1,2,4-triazole?
The CAS number of 5-(furan-2-yl)-3-methylsulfanyl-1H-1,2,4-triazole is 61323-51-1.
What is the molecular formula of 5-(furan-2-yl)-3-methylsulfanyl-1H-1,2,4-triazole?
The molecular formula of 5-(furan-2-yl)-3-methylsulfanyl-1H-1,2,4-triazole is C7H7N3OS.
What is the molecular weight of 5-(furan-2-yl)-3-methylsulfanyl-1H-1,2,4-triazole?
The molecular weight of 5-(furan-2-yl)-3-methylsulfanyl-1H-1,2,4-triazole is 181.03 g/mol.
Where can I buy 5-(furan-2-yl)-3-methylsulfanyl-1H-1,2,4-triazole?
You can request a quote for 5-(furan-2-yl)-3-methylsulfanyl-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 5-(furan-2-yl)-3-methylsulfanyl-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(furan-2-yl)-3-methylsulfanyl-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.