2,5-Dithiahexane
TL;DR: 2,5-Dithiahexane (CAS 6628-18-8) is a chemical compound with molecular formula C4H10S2 and molecular weight 122.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-bis(methylsulfanyl)ethane
Also Known As: 2,5-Dithiahexane, 1,2-Bis(methylthio)ethane, 1,2-Bis(methylsulfanyl)ethane, CH3SCH2CH2SCH3, Ethane, 1,2-bis(methylthio)-
| Molecular Formula | C4H10S2 |
|---|---|
| Molecular Weight | 122.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 122.02239 |
| Heavy Atoms | 6 |
| Complexity | 17.0 |
| Boiling Point | 178.00 to 180.00 °C. @ 760.00 mm Hg |
| Density | 1.039-1.049 |
| Solubility | Insoluble in water; soluble in non-polar solvents |
| Refractive Index | 1.526-1.533 |
Chemical Identifiers
| CAS Number | 6628-18-8 |
|---|---|
| SMILES | CSCCSC |
| InChIKey | UJTDKNZVLGVLFT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Dithiahexane (CAS 6628-18-8), with molecular formula C4H10S2 and molecular weight 122.02 g/mol. IUPAC: 1,2-bis(methylsulfanyl)ethane.
Chemical Property Profile of 2,5-Dithiahexane
Property Insights of 2,5-Dithiahexane
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dithiahexane. With a topological polar surface area (TPSA) of 50.6 Ų, 2,5-Dithiahexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dithiahexane 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 2,5-Dithiahexane?
The CAS number of 2,5-Dithiahexane is 6628-18-8.
What is the molecular formula of 2,5-Dithiahexane?
The molecular formula of 2,5-Dithiahexane is C4H10S2.
What is the molecular weight of 2,5-Dithiahexane?
The molecular weight of 2,5-Dithiahexane is 122.02 g/mol.
Where can I buy 2,5-Dithiahexane?
You can request a quote for 2,5-Dithiahexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dithiahexane?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dithiahexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.