![1-{2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]ethenyl}-1H-imidazole structure](/static/images/no-structure.svg)
1-{2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]ethenyl}-1H-imidazole
TL;DR: 1-{2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]ethenyl}-1H-imidazole (CAS 130726-68-0) is a chemical compound with molecular formula C17H22N2OS and molecular weight 302.1453 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole
Also Known As: Neticonazole, SS-717;SS 717;SS717, 1-{2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]ethenyl}-1H-imidazole, 1H-Imidazole, 1-[(1E)-2-(methylthio)-1-[2-(pentyloxy)phenyl]ethenyl]-, 1-[2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H22N2OS |
| Molecular Weight | 302.1453 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 52.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 302.1453 Da |
| Heavy Atoms | 21 |
| Complexity | 322.0 |
| SMILES | CCCCCOC1=CC=CC=C1C(=CSC)N2C=CN=C2 |
| InChIKey | VWOIKFDZQQLJBJ-UHFFFAOYSA-N |
Product Description
Applications: 1-{2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]ethenyl}-1H-imidazole is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1-{2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]ethenyl}-1H-imidazole (CAS 130726-68-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, 1-{2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]ethenyl}-1H-imidazole (CAS 130726-68-0) has the molecular formula C17H22N2OS and a molecular weight of 302.15 g/mol. It is also known as Neticonazole and SS-717.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 1-{2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]ethenyl}-1H-imidazole
Property Insights of 1-{2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]ethenyl}-1H-imidazole
The XLogP value of 4.1 indicates that 1-{2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]ethenyl}-1H-imidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.4 Ų, 1-{2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]ethenyl}-1H-imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]ethenyl}-1H-imidazole has 0 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 1-{2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]ethenyl}-1H-imidazole?
The CAS number of 1-{2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]ethenyl}-1H-imidazole is 130726-68-0.
What is the molecular formula of 1-{2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]ethenyl}-1H-imidazole?
The molecular formula of 1-{2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]ethenyl}-1H-imidazole is C17H22N2OS.
What is the molecular weight of 1-{2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]ethenyl}-1H-imidazole?
The molecular weight of 1-{2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]ethenyl}-1H-imidazole is 302.1453 g/mol.
What are the applications of 1-{2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]ethenyl}-1H-imidazole?
1-{2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]ethenyl}-1H-imidazole is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis....
Where can I buy 1-{2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]ethenyl}-1H-imidazole?
You can request a quote for 1-{2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]ethenyl}-1H-imidazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-{2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]ethenyl}-1H-imidazole?
Yes, CoreyChem provides custom synthesis services for 1-{2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]ethenyl}-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.