1-(Trichloromethyldisulfanyl)butane
TL;DR: 1-(Trichloromethyldisulfanyl)butane (CAS 52739-91-0) is a chemical compound with molecular formula C5H9Cl3S2 and molecular weight 237.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(trichloromethyldisulfanyl)butane
Also Known As: 1-(trichloromethyldisulfanyl)butane, 1-[(trichloromethyl)disulfanyl]butane, Disulfide, butyltrichloromethyl (9CI)
| Molecular Formula | C5H9Cl3S2 |
|---|---|
| Molecular Weight | 237.92 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.92113 |
| Heavy Atoms | 10 |
| Complexity | 81.0 |
Chemical Identifiers
| CAS Number | 52739-91-0 |
|---|---|
| SMILES | CCCCSSC(Cl)(Cl)Cl |
| InChIKey | SCHLSKVLMDSCQQ-UHFFFAOYSA-N |
Product Overview
1-(Trichloromethyldisulfanyl)butane (CAS 52739-91-0), with molecular formula C5H9Cl3S2 and molecular weight 237.92 g/mol. IUPAC: 1-(trichloromethyldisulfanyl)butane.
Chemical Property Profile of 1-(Trichloromethyldisulfanyl)butane
Property Insights of 1-(Trichloromethyldisulfanyl)butane
The XLogP value of 4.1 indicates that 1-(Trichloromethyldisulfanyl)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-(Trichloromethyldisulfanyl)butane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Trichloromethyldisulfanyl)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
Frequently Asked Questions
What is the CAS number of 1-(Trichloromethyldisulfanyl)butane?
The CAS number of 1-(Trichloromethyldisulfanyl)butane is 52739-91-0.
What is the molecular formula of 1-(Trichloromethyldisulfanyl)butane?
The molecular formula of 1-(Trichloromethyldisulfanyl)butane is C5H9Cl3S2.
What is the molecular weight of 1-(Trichloromethyldisulfanyl)butane?
The molecular weight of 1-(Trichloromethyldisulfanyl)butane is 237.92 g/mol.
Where can I buy 1-(Trichloromethyldisulfanyl)butane?
You can request a quote for 1-(Trichloromethyldisulfanyl)butane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Trichloromethyldisulfanyl)butane?
Yes, KEHONG BIO provides custom synthesis services for 1-(Trichloromethyldisulfanyl)butane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.