Dihexyl pentasulphide
TL;DR: Dihexyl pentasulphide (CAS 4089-56-9) is a chemical compound with molecular formula C12H26S5 and molecular weight 330.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(hexylpentasulfanyl)hexane
Also Known As: Dihexyl pentasulphide, dihexylpentasulfane, dihexylpentasulphide, dihexyl-pentasulfane, Dihexyl perpentasulfide
| Molecular Formula | C12H26S5 |
|---|---|
| Molecular Weight | 330.06 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 330.0638 |
| Heavy Atoms | 17 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 4089-56-9 |
|---|---|
| SMILES | CCCCCCSSSSSCCCCCC |
| InChIKey | CVKMVKOPUGPBSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dihexyl pentasulphide (CAS 4089-56-9), with molecular formula C12H26S5 and molecular weight 330.06 g/mol. IUPAC: 1-(hexylpentasulfanyl)hexane.
Chemical Property Profile of Dihexyl pentasulphide
Property Insights of Dihexyl pentasulphide
The XLogP value of 6.9 indicates that Dihexyl pentasulphide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dihexyl pentasulphide. Following Lipinski's Rule of Five, Dihexyl pentasulphide has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dihexyl pentasulphide?
The CAS number of Dihexyl pentasulphide is 4089-56-9.
What is the molecular formula of Dihexyl pentasulphide?
The molecular formula of Dihexyl pentasulphide is C12H26S5.
What is the molecular weight of Dihexyl pentasulphide?
The molecular weight of Dihexyl pentasulphide is 330.06 g/mol.
Where can I buy Dihexyl pentasulphide?
You can request a quote for Dihexyl pentasulphide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihexyl pentasulphide?
Yes, KEHONG BIO provides custom synthesis services for Dihexyl pentasulphide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.