4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-phenyl-
TL;DR: 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-phenyl- (CAS 116850-60-3) is a chemical compound with molecular formula C10H11N3OS and molecular weight 221.06229 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-3-methylsulfinyl-5-phenyl-1,2,4-triazole
Also Known As: 4-Methyl-3-(methylsulfinyl)-5-phenyl-4H-1,2,4-triazole, 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-phenyl-, 4-methyl-3-methylsulfinyl-5-phenyl-1,2,4-triazole, 3-methanesulfinyl-4-methyl-5-phenyl-4H-1,2,4-triazole, 4H-1,2,4-Triazole,4-methyl-3-(methylsulfinyl)-5-phenyl-
Technical Specifications
| Molecular Formula | C10H11N3OS |
| Molecular Weight | 221.06229 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 67.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.06229 Da |
| Heavy Atoms | 15 |
| Complexity | 243.0 |
| SMILES | CN1C(=NN=C1S(=O)C)C2=CC=CC=C2 |
| InChIKey | LXHVERNYCANDQP-UHFFFAOYSA-N |
Chemical Property Profile of 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-phenyl-
Property Insights of 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-phenyl-
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-phenyl-. The TPSA of 67.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-phenyl-. Following Lipinski's Rule of Five, 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-phenyl- has 0 hydrogen bond donor(s) and 4 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-phenyl-?
The CAS number of 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-phenyl- is 116850-60-3.
What is the molecular formula of 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-phenyl-?
The molecular formula of 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-phenyl- is C10H11N3OS.
What is the molecular weight of 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-phenyl-?
The molecular weight of 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-phenyl- is 221.06229 g/mol.
Where can I buy 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-phenyl-?
You can request a quote for 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-phenyl- 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-phenyl-?
Yes, CoreyChem provides custom synthesis services for 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.