O-Mustard
TL;DR: O-Mustard (CAS 63918-89-8) is a chemical compound with molecular formula C8H16Cl2OS2 and molecular weight 262.00195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chloroethylsulfanyl)-2-[2-(2-chloroethylsulfanyl)ethoxy]ethane
Also Known As: O-Mustard, Agent T, O-Mustard T, O-Mustard (T), Dimustard ether
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H16Cl2OS2 |
| Molecular Weight | 262.00195 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 59.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 262.00195 Da |
| Heavy Atoms | 13 |
| Complexity | 86.0 |
| Melting Point | 45 °C |
| Boiling Point | Decomposes |
| Density | 1.24 g/mL at 25 °C |
| Vapor Pressure | 3X10-6 mm Hg at 25 °C |
| Solubility | Sulfur mustards, including Agent T (O-Mustard), do not dissolve much in water, but dissolve easily in oils, fats, and other solvents. /Sulfur mustards/ |
| SMILES | C(CSCCCl)OCCSCCCl |
| InChIKey | FWVCSXWHVOOTFJ-UHFFFAOYSA-N |
Chemical Property Profile of O-Mustard
Property Insights of O-Mustard
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Mustard. With a topological polar surface area (TPSA) of 59.8 Ų, O-Mustard exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-Mustard 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 O-Mustard?
The CAS number of O-Mustard is 63918-89-8.
What is the molecular formula of O-Mustard?
The molecular formula of O-Mustard is C8H16Cl2OS2.
What is the molecular weight of O-Mustard?
The molecular weight of O-Mustard is 262.00195 g/mol.
Where can I buy O-Mustard?
You can request a quote for O-Mustard directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for O-Mustard?
Yes, CoreyChem provides custom synthesis services for O-Mustard and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.