![3-(3-Methoxy-benzylsulfanyl)-4H-[1,2,4]triazole structure](/static/products/127/127098-84-4.webp)
3-(3-Methoxy-benzylsulfanyl)-4H-[1,2,4]triazole
TL;DR: 3-(3-Methoxy-benzylsulfanyl)-4H-[1,2,4]triazole (CAS 127098-84-4) 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.
5-[(3-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole
Also Known As: 5-((3-methoxybenzyl)thio)-1H-1,2,4-triazole, 3-(3-Methoxy-benzylsulfanyl)-4H-[1,2,4]triazole, 3-[(3-methoxyphenyl)methylsulfanyl]-4H-1,2,4-triazole, 5-[(3-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole
Technical Specifications
| Molecular Formula | C10H11N3OS |
| Molecular Weight | 221.06229 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.06229 Da |
| Heavy Atoms | 15 |
| Complexity | 194.0 |
| SMILES | COC1=CC=CC(=C1)CSC2=NC=NN2 |
| InChIKey | UQZUUWCJMBAHGF-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3-Methoxy-benzylsulfanyl)-4H-[1,2,4]triazole
Property Insights of 3-(3-Methoxy-benzylsulfanyl)-4H-[1,2,4]triazole
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Methoxy-benzylsulfanyl)-4H-[1,2,4]triazole. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Methoxy-benzylsulfanyl)-4H-[1,2,4]triazole. Following Lipinski's Rule of Five, 3-(3-Methoxy-benzylsulfanyl)-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
What is the CAS number of 3-(3-Methoxy-benzylsulfanyl)-4H-[1,2,4]triazole?
The CAS number of 3-(3-Methoxy-benzylsulfanyl)-4H-[1,2,4]triazole is 127098-84-4.
What is the molecular formula of 3-(3-Methoxy-benzylsulfanyl)-4H-[1,2,4]triazole?
The molecular formula of 3-(3-Methoxy-benzylsulfanyl)-4H-[1,2,4]triazole is C10H11N3OS.
What is the molecular weight of 3-(3-Methoxy-benzylsulfanyl)-4H-[1,2,4]triazole?
The molecular weight of 3-(3-Methoxy-benzylsulfanyl)-4H-[1,2,4]triazole is 221.06229 g/mol.
Where can I buy 3-(3-Methoxy-benzylsulfanyl)-4H-[1,2,4]triazole?
You can request a quote for 3-(3-Methoxy-benzylsulfanyl)-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-(3-Methoxy-benzylsulfanyl)-4H-[1,2,4]triazole?
Yes, CoreyChem provides custom synthesis services for 3-(3-Methoxy-benzylsulfanyl)-4H-[1,2,4]triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.