1,4-Bis(2-chloroethylthio)-n-butane
TL;DR: 1,4-Bis(2-chloroethylthio)-n-butane (CAS 142868-93-7) is a chemical compound with molecular formula C8H16Cl2S2 and molecular weight 246.00705 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-bis(2-chloroethylsulfanyl)butane
Also Known As: 1,4-Bis(2-chloroethylthio)butane, 1,4-bis(2-chloroethylthio)-n-butane, 1,4-bis(2-chloroethylsulfanyl)butane, 1,4-Bis[(2-chloroethyl)sulfanyl]butane, Butane, 1,4-bis[(2-chloroethyl)thio]-
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H16Cl2S2 |
| Molecular Weight | 246.00705 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 246.00705 Da |
| Heavy Atoms | 12 |
| Complexity | 71.0 |
| SMILES | C(CCSCCCl)CSCCCl |
| InChIKey | AYSIRJGVBLMLAS-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Bis(2-chloroethylthio)-n-butane
Property Insights of 1,4-Bis(2-chloroethylthio)-n-butane
The XLogP value of 3.4 indicates that 1,4-Bis(2-chloroethylthio)-n-butane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 1,4-Bis(2-chloroethylthio)-n-butane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Bis(2-chloroethylthio)-n-butane has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,4-Bis(2-chloroethylthio)-n-butane?
The CAS number of 1,4-Bis(2-chloroethylthio)-n-butane is 142868-93-7.
What is the molecular formula of 1,4-Bis(2-chloroethylthio)-n-butane?
The molecular formula of 1,4-Bis(2-chloroethylthio)-n-butane is C8H16Cl2S2.
What is the molecular weight of 1,4-Bis(2-chloroethylthio)-n-butane?
The molecular weight of 1,4-Bis(2-chloroethylthio)-n-butane is 246.00705 g/mol.
Where can I buy 1,4-Bis(2-chloroethylthio)-n-butane?
You can request a quote for 1,4-Bis(2-chloroethylthio)-n-butane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Bis(2-chloroethylthio)-n-butane?
Yes, CoreyChem provides custom synthesis services for 1,4-Bis(2-chloroethylthio)-n-butane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.