2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane
TL;DR: 2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane (CAS 55704-78-4) is a chemical compound with molecular formula C6H12O2S2 and molecular weight 180.02788 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-dimethyl-1,4-dithiane-2,5-diol
Also Known As: 2,5-Dimethyl-1,4-dithiane-2,5-diol, Dimeric mercapto propanone, meaty dithiane, 2-Mercaptopropanone, 2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H12O2S2 |
| Molecular Weight | 180.02788 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 91.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.02788 Da |
| Heavy Atoms | 10 |
| Complexity | 126.0 |
| Melting Point | 81.00 to 83.00 °C. @ 760.00 mm Hg |
| Boiling Point | 326.00 to 327.00 °C. @ 760.00 mm Hg |
| Solubility | slightly |
| SMILES | CC1(CSC(CS1)(C)O)O |
| InChIKey | NHKIYYMFGJBOTK-UHFFFAOYSA-N |
Chemical Property Profile of 2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane
Property Insights of 2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane. The TPSA of 91.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane. Following Lipinski's Rule of Five, 2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane 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 2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane?
The CAS number of 2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane is 55704-78-4.
What is the molecular formula of 2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane?
The molecular formula of 2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane is C6H12O2S2.
What is the molecular weight of 2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane?
The molecular weight of 2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane is 180.02788 g/mol.
Where can I buy 2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane?
You can request a quote for 2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane?
Yes, CoreyChem provides custom synthesis services for 2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.