3-methanesulfonyl-4H-1,2,4-triazole
TL;DR: 3-methanesulfonyl-4H-1,2,4-triazole (CAS 3589-05-7) is a chemical compound with molecular formula C3H5N3O2S and molecular weight 147.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylsulfonyl-1H-1,2,4-triazole
Also Known As: 3-(methylsulfonyl)-1H-1,2,4-triazole, 5-methylsulfonyl-1H-1,2,4-triazole, 3-methanesulfonyl-4H-1,2,4-triazole, 3-methylsulfonyl-1,2,4-triazole, 3-methylsulphonyl-1,2,4-triazole
| Molecular Formula | C3H5N3O2S |
|---|---|
| Molecular Weight | 147.01 g/mol |
| LogP | -0.7918 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 147.01025 |
| Heavy Atoms | 9 |
| Complexity | 274.01633 |
Chemical Identifiers
| CAS Number | 3589-05-7 |
|---|---|
| SMILES | CS(=O)(=O)C1=NC=NN1 |
Product Overview
3-methanesulfonyl-4H-1,2,4-triazole (CAS 3589-05-7), with molecular formula C3H5N3O2S and molecular weight 147.01 g/mol. IUPAC: 5-methylsulfonyl-1H-1,2,4-triazole.
Chemical Property Profile of 3-methanesulfonyl-4H-1,2,4-triazole
Property Insights of 3-methanesulfonyl-4H-1,2,4-triazole
The XLogP value of -0.7918 indicates that 3-methanesulfonyl-4H-1,2,4-triazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methanesulfonyl-4H-1,2,4-triazole. Following Lipinski's Rule of Five, 3-methanesulfonyl-4H-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 3-methanesulfonyl-4H-1,2,4-triazole?
The CAS number of 3-methanesulfonyl-4H-1,2,4-triazole is 3589-05-7.
What is the molecular formula of 3-methanesulfonyl-4H-1,2,4-triazole?
The molecular formula of 3-methanesulfonyl-4H-1,2,4-triazole is C3H5N3O2S.
What is the molecular weight of 3-methanesulfonyl-4H-1,2,4-triazole?
The molecular weight of 3-methanesulfonyl-4H-1,2,4-triazole is 147.01 g/mol.
Where can I buy 3-methanesulfonyl-4H-1,2,4-triazole?
You can request a quote for 3-methanesulfonyl-4H-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-methanesulfonyl-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-methanesulfonyl-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.