Ether, bis(isothiocyanomethyl)
TL;DR: Ether, bis(isothiocyanomethyl) (CAS 63918-92-3) is a chemical compound with molecular formula C4H4N2OS2 and molecular weight 159.9765 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
isothiocyanato(isothiocyanatomethoxy)methane
Also Known As: TL 273, ETHER, BIS(ISOTHIOCYANOMETHYL), Bis(isothiocyanomethyl) ether, isothiocyanato(isothiocyanatomethoxy)methane, Methane, oxybis[isothiocyanato-
Technical Specifications
| Molecular Formula | C4H4N2OS2 |
| Molecular Weight | 159.9765 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 98.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 159.9765 Da |
| Heavy Atoms | 9 |
| Complexity | 140.0 |
| SMILES | C(N=C=S)OCN=C=S |
| InChIKey | HKNQJEYPYMYISH-UHFFFAOYSA-N |
Chemical Property Profile of Ether, bis(isothiocyanomethyl)
Property Insights of Ether, bis(isothiocyanomethyl)
The XLogP value of 3.0 indicates that Ether, bis(isothiocyanomethyl) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ether, bis(isothiocyanomethyl). Following Lipinski's Rule of Five, Ether, bis(isothiocyanomethyl) 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(isothiocyanomethyl)?
The CAS number of Ether, bis(isothiocyanomethyl) is 63918-92-3.
What is the molecular formula of Ether, bis(isothiocyanomethyl)?
The molecular formula of Ether, bis(isothiocyanomethyl) is C4H4N2OS2.
What is the molecular weight of Ether, bis(isothiocyanomethyl)?
The molecular weight of Ether, bis(isothiocyanomethyl) is 159.9765 g/mol.
Where can I buy Ether, bis(isothiocyanomethyl)?
You can request a quote for Ether, bis(isothiocyanomethyl) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ether, bis(isothiocyanomethyl)?
Yes, CoreyChem provides custom synthesis services for Ether, bis(isothiocyanomethyl) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.