4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-(2-thienyl)-
TL;DR: 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-(2-thienyl)- (CAS 116850-55-6) is a chemical compound with molecular formula C8H9N3OS2 and molecular weight 227.0187 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-3-methylsulfinyl-5-thiophen-2-yl-1,2,4-triazole
Also Known As: 4-Methyl-3-(methylsulfinyl)-5-(2-thienyl)-4H-1,2,4-triazole, 4-methyl-3-methylsulfinyl-5-thiophen-2-yl-1,2,4-triazole, 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-(2-thienyl)-, 4H-1,2,4-Triazole,4-methyl-3-(methylsulfinyl)-5-(2-thienyl)-, 4-Methyl-3-(methylsulfinyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole
Technical Specifications
| Molecular Formula | C8H9N3OS2 |
| Molecular Weight | 227.0187 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 95.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.0187 Da |
| Heavy Atoms | 14 |
| Complexity | 239.0 |
| SMILES | CN1C(=NN=C1S(=O)C)C2=CC=CS2 |
| InChIKey | DNRLTSGCWKCYLZ-UHFFFAOYSA-N |
Chemical Property Profile of 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-(2-thienyl)-
Property Insights of 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-(2-thienyl)-
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-(2-thienyl)-. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-(2-thienyl)-. Following Lipinski's Rule of Five, 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-(2-thienyl)- 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
What is the CAS number of 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-(2-thienyl)-?
The CAS number of 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-(2-thienyl)- is 116850-55-6.
What is the molecular formula of 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-(2-thienyl)-?
The molecular formula of 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-(2-thienyl)- is C8H9N3OS2.
What is the molecular weight of 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-(2-thienyl)-?
The molecular weight of 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-(2-thienyl)- is 227.0187 g/mol.
Where can I buy 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-(2-thienyl)-?
You can request a quote for 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-(2-thienyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-(2-thienyl)-?
Yes, CoreyChem provides custom synthesis services for 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-(2-thienyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.