Ether, bis(4,4'-thiocyanatomethylphenyl)
TL;DR: Ether, bis(4,4'-thiocyanatomethylphenyl) (CAS 73927-57-8) is a chemical compound with molecular formula C16H12N2OS2 and molecular weight 312.0391 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[4-(thiocyanatomethyl)phenoxy]phenyl]methyl thiocyanate
Also Known As: Bis ether, ETHER, BIS(4,4'-THIOCYANATOMETHYLPHENYL), Bis-(4,4'-thiocyanatomethyl)phenyl ether, Bis(4-thiocyanatomethylphenyl) ether, [Oxybis(4,1-phenylene)methylene] bis(thiocyanate)
Technical Specifications
| Molecular Formula | C16H12N2OS2 |
| Molecular Weight | 312.0391 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.0391 Da |
| Heavy Atoms | 21 |
| Complexity | 357.0 |
| SMILES | C1=CC(=CC=C1CSC#N)OC2=CC=C(C=C2)CSC#N |
| InChIKey | AKGAFSKMKQKTTQ-UHFFFAOYSA-N |
Chemical Property Profile of Ether, bis(4,4'-thiocyanatomethylphenyl)
Property Insights of Ether, bis(4,4'-thiocyanatomethylphenyl)
The XLogP value of 4.4 indicates that Ether, bis(4,4'-thiocyanatomethylphenyl) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ether, bis(4,4'-thiocyanatomethylphenyl). Following Lipinski's Rule of Five, Ether, bis(4,4'-thiocyanatomethylphenyl) 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 Ether, bis(4,4'-thiocyanatomethylphenyl)?
The CAS number of Ether, bis(4,4'-thiocyanatomethylphenyl) is 73927-57-8.
What is the molecular formula of Ether, bis(4,4'-thiocyanatomethylphenyl)?
The molecular formula of Ether, bis(4,4'-thiocyanatomethylphenyl) is C16H12N2OS2.
What is the molecular weight of Ether, bis(4,4'-thiocyanatomethylphenyl)?
The molecular weight of Ether, bis(4,4'-thiocyanatomethylphenyl) is 312.0391 g/mol.
Where can I buy Ether, bis(4,4'-thiocyanatomethylphenyl)?
You can request a quote for Ether, bis(4,4'-thiocyanatomethylphenyl) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ether, bis(4,4'-thiocyanatomethylphenyl)?
Yes, CoreyChem provides custom synthesis services for Ether, bis(4,4'-thiocyanatomethylphenyl) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.