![2-[4-[4-(Cyanomethoxy)phenyl]sulfanylphenoxy]acetonitrile structure](/static/products/109/109213-66-3.webp)
2-[4-[4-(Cyanomethoxy)phenyl]sulfanylphenoxy]acetonitrile
TL;DR: 2-[4-[4-(Cyanomethoxy)phenyl]sulfanylphenoxy]acetonitrile (CAS 109213-66-3) is a chemical compound with molecular formula C16H12N2O2S and molecular weight 296.06195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[4-(cyanomethoxy)phenyl]sulfanylphenoxy]acetonitrile
Also Known As: 2,2'-((thiobis(4,1-phenylene))bis(oxy))diacetonitrile, 2-[4-[4-(cyanomethoxy)phenyl]sulfanylphenoxy]acetonitrile
Technical Specifications
| Molecular Formula | C16H12N2O2S |
| Molecular Weight | 296.06195 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 91.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 296.06195 Da |
| Heavy Atoms | 21 |
| Complexity | 357.0 |
| SMILES | C1=CC(=CC=C1OCC#N)SC2=CC=C(C=C2)OCC#N |
| InChIKey | OYQDPOLJVNCNMM-UHFFFAOYSA-N |
Chemical Property Profile of 2-[4-[4-(Cyanomethoxy)phenyl]sulfanylphenoxy]acetonitrile
Property Insights of 2-[4-[4-(Cyanomethoxy)phenyl]sulfanylphenoxy]acetonitrile
The XLogP value of 3.5 indicates that 2-[4-[4-(Cyanomethoxy)phenyl]sulfanylphenoxy]acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-[4-(Cyanomethoxy)phenyl]sulfanylphenoxy]acetonitrile. Following Lipinski's Rule of Five, 2-[4-[4-(Cyanomethoxy)phenyl]sulfanylphenoxy]acetonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-[4-[4-(Cyanomethoxy)phenyl]sulfanylphenoxy]acetonitrile?
The CAS number of 2-[4-[4-(Cyanomethoxy)phenyl]sulfanylphenoxy]acetonitrile is 109213-66-3.
What is the molecular formula of 2-[4-[4-(Cyanomethoxy)phenyl]sulfanylphenoxy]acetonitrile?
The molecular formula of 2-[4-[4-(Cyanomethoxy)phenyl]sulfanylphenoxy]acetonitrile is C16H12N2O2S.
What is the molecular weight of 2-[4-[4-(Cyanomethoxy)phenyl]sulfanylphenoxy]acetonitrile?
The molecular weight of 2-[4-[4-(Cyanomethoxy)phenyl]sulfanylphenoxy]acetonitrile is 296.06195 g/mol.
Where can I buy 2-[4-[4-(Cyanomethoxy)phenyl]sulfanylphenoxy]acetonitrile?
You can request a quote for 2-[4-[4-(Cyanomethoxy)phenyl]sulfanylphenoxy]acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[4-[4-(Cyanomethoxy)phenyl]sulfanylphenoxy]acetonitrile?
Yes, CoreyChem provides custom synthesis services for 2-[4-[4-(Cyanomethoxy)phenyl]sulfanylphenoxy]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.