1,4-Dithiane-2,5-diol
TL;DR: 1,4-Dithiane-2,5-diol (CAS 40018-26-6) is a chemical compound with molecular formula C4H8O2S2 and molecular weight 151.99657 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-dithiane-2,5-diol
Also Known As: 1,4-Dithiane-2,5-diol, p-Dithiane-2,5-diol, 2,5-Dihydroxy-1,4-dithiane, Dithian, Mercaptoacetaldehyde dimer
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H8O2S2 |
| Molecular Weight | 151.99657 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 91.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 151.99657 Da |
| Heavy Atoms | 8 |
| Complexity | 68.0 |
| Melting Point | 130.00 °C. @ 760.00 mm Hg |
| Solubility | slightly |
| SMILES | C1C(SCC(S1)O)O |
| InChIKey | YUIOPHXTILULQC-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Dithiane-2,5-diol
Property Insights of 1,4-Dithiane-2,5-diol
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dithiane-2,5-diol. The TPSA of 91.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dithiane-2,5-diol. Following Lipinski's Rule of Five, 1,4-Dithiane-2,5-diol has 2 hydrogen bond donor(s) and 4 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-2,5-diol?
The CAS number of 1,4-Dithiane-2,5-diol is 40018-26-6.
What is the molecular formula of 1,4-Dithiane-2,5-diol?
The molecular formula of 1,4-Dithiane-2,5-diol is C4H8O2S2.
What is the molecular weight of 1,4-Dithiane-2,5-diol?
The molecular weight of 1,4-Dithiane-2,5-diol is 151.99657 g/mol.
Where can I buy 1,4-Dithiane-2,5-diol?
You can request a quote for 1,4-Dithiane-2,5-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Dithiane-2,5-diol?
Yes, CoreyChem provides custom synthesis services for 1,4-Dithiane-2,5-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.