5-(methoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(methoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol (CAS 138624-84-7) 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.
3-(methoxymethyl)-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-(methoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol, 3-(methoxymethyl)-4-phenyl-1H-1,2,4-triazole-5-thione, 4H-1,2,4-triazole-3-thiol, 5-(methoxymethyl)-4-phenyl-, 5-(methoxymethyl)-4-phenyl-1,2,4-triazole-3-thiol, 5-methoxymethyl-4-phenyl-4H-[1,2,4]triazole-3-thiol
Technical Specifications
| Molecular Formula | C10H11N3OS |
| Molecular Weight | 221.06229 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 69.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.06229 Da |
| Heavy Atoms | 15 |
| Complexity | 274.0 |
| SMILES | COCC1=NNC(=S)N1C2=CC=CC=C2 |
| InChIKey | PRXNKTGXESJDAU-UHFFFAOYSA-N |
Chemical Property Profile of 5-(methoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(methoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(methoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(methoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-(methoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(methoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(methoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol is 138624-84-7.
What is the molecular formula of 5-(methoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(methoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol is C10H11N3OS.
What is the molecular weight of 5-(methoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(methoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol is 221.06229 g/mol.
Where can I buy 5-(methoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(methoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(methoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 5-(methoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.