3-(Ethanesulfinyl)-4-methyl-5-phenyl-4H-1,2,4-triazole
TL;DR: 3-(Ethanesulfinyl)-4-methyl-5-phenyl-4H-1,2,4-triazole (CAS 116850-48-7) is a chemical compound with molecular formula C11H13N3OS and molecular weight 235.07793 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-ethylsulfinyl-4-methyl-5-phenyl-1,2,4-triazole
Also Known As: 3-(Ethylsulfinyl)-4-methyl-5-phenyl-4H-1,2,4-triazole, 3-ethylsulfinyl-4-methyl-5-phenyl-1,2,4-triazole, 4H-1,2,4-Triazole, 3-(ethylsulfinyl)-4-methyl-5-phenyl-, 3-(ethanesulfinyl)-4-methyl-5-phenyl-4H-1,2,4-triazole, 4H-1,2,4-Triazole,3-(ethylsulfinyl)-4-methyl-5-phenyl-
Technical Specifications
| Molecular Formula | C11H13N3OS |
| Molecular Weight | 235.07793 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 67.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.07793 Da |
| Heavy Atoms | 16 |
| Complexity | 256.0 |
| SMILES | CCS(=O)C1=NN=C(N1C)C2=CC=CC=C2 |
| InChIKey | JUJXNKZIVWCWOZ-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Ethanesulfinyl)-4-methyl-5-phenyl-4H-1,2,4-triazole
Property Insights of 3-(Ethanesulfinyl)-4-methyl-5-phenyl-4H-1,2,4-triazole
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Ethanesulfinyl)-4-methyl-5-phenyl-4H-1,2,4-triazole. The TPSA of 67.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Ethanesulfinyl)-4-methyl-5-phenyl-4H-1,2,4-triazole. Following Lipinski's Rule of Five, 3-(Ethanesulfinyl)-4-methyl-5-phenyl-4H-1,2,4-triazole 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 3-(Ethanesulfinyl)-4-methyl-5-phenyl-4H-1,2,4-triazole?
The CAS number of 3-(Ethanesulfinyl)-4-methyl-5-phenyl-4H-1,2,4-triazole is 116850-48-7.
What is the molecular formula of 3-(Ethanesulfinyl)-4-methyl-5-phenyl-4H-1,2,4-triazole?
The molecular formula of 3-(Ethanesulfinyl)-4-methyl-5-phenyl-4H-1,2,4-triazole is C11H13N3OS.
What is the molecular weight of 3-(Ethanesulfinyl)-4-methyl-5-phenyl-4H-1,2,4-triazole?
The molecular weight of 3-(Ethanesulfinyl)-4-methyl-5-phenyl-4H-1,2,4-triazole is 235.07793 g/mol.
Where can I buy 3-(Ethanesulfinyl)-4-methyl-5-phenyl-4H-1,2,4-triazole?
You can request a quote for 3-(Ethanesulfinyl)-4-methyl-5-phenyl-4H-1,2,4-triazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Ethanesulfinyl)-4-methyl-5-phenyl-4H-1,2,4-triazole?
Yes, CoreyChem provides custom synthesis services for 3-(Ethanesulfinyl)-4-methyl-5-phenyl-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.