1,4-Dithiane
TL;DR: 1,4-Dithiane (CAS 505-29-3) is a chemical compound with molecular formula C4H8S2 and molecular weight 120.006744 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-dithiane
Also Known As: 1,4-DITHIANE, p-Dithiane, 1,4-Dithiacyclohexane, Diethylene disulfide, p-Dithane
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H8S2 |
| Molecular Weight | 120.006744 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 120.006744 Da |
| Heavy Atoms | 6 |
| Complexity | 26.0 |
| Melting Point | 112.3 °C |
| Boiling Point | 115.6 °C at 60 mm Hg |
| Vapor Pressure | 1.57 [mmHg] |
| Solubility | Soluble in ethanol, ether, carbon tetrachloride, acetic acid and carbon disulfide. |
| SMILES | C1CSCCS1 |
| InChIKey | LOZWAPSEEHRYPG-UHFFFAOYSA-N |
Product Description
Applications: 1,4-Dithiane is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1,4-Dithiane (CAS 505-29-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
1,4-Dithiane is a heterocyclic building block identified by CAS number 505-29-3 and the molecular formula C4H8S2 and a molecular weight of 120.01 g/mol. Physically, the compound has a solubility: Soluble in ethanol, ether, carbon tetrachloride, acetic acid and carbon disulfide. It is also known as 1,4-DITHIANE and p-Dithiane.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 1,4-Dithiane
Property Insights of 1,4-Dithiane
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dithiane. With a topological polar surface area (TPSA) of 50.6 Ų, 1,4-Dithiane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dithiane 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-Dithiane?
The CAS number of 1,4-Dithiane is 505-29-3.
What is the molecular formula of 1,4-Dithiane?
The molecular formula of 1,4-Dithiane is C4H8S2.
What is the molecular weight of 1,4-Dithiane?
The molecular weight of 1,4-Dithiane is 120.006744 g/mol.
What are the applications of 1,4-Dithiane?
1,4-Dithiane is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1,4-Dithiane (CAS 505-29-3) with custom...
Where can I buy 1,4-Dithiane?
You can request a quote for 1,4-Dithiane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Dithiane?
Yes, CoreyChem provides custom synthesis services for 1,4-Dithiane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.