1,4-Oxathiane, 4,4-dioxide
TL;DR: 1,4-Oxathiane, 4,4-dioxide (CAS 107-61-9) is a chemical compound with molecular formula C4H8O3S and molecular weight 136.01941 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-oxathiane 4,4-dioxide
Also Known As: 1,4-Oxathiane 4,4-Dioxide, 1,4-Thioxane-1,1-dioxide, Thioxane sulfone, 4,4-Dioxo-1,4-oxathiane, p-Thioxane sulfone
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H8O3S |
| Molecular Weight | 136.01941 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.01941 Da |
| Heavy Atoms | 8 |
| Complexity | 141.0 |
| SMILES | C1CS(=O)(=O)CCO1 |
| InChIKey | WWRUZECKUVNAPB-UHFFFAOYSA-N |
Product Description
Applications: 1,4-Oxathiane, 4,4-dioxide is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as an oxidizing agent in synthetic sequences. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, 1,4-Oxathiane, 4,4-dioxide (CAS 107-61-9) has the molecular formula C4H8O3S and a molecular weight of 136.02 g/mol. Synonyms include 1,4-Oxathiane 4,4-Dioxide and 1,4-Thioxane-1,1-dioxide.
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-Oxathiane, 4,4-dioxide
Property Insights of 1,4-Oxathiane, 4,4-dioxide
The XLogP value of -0.8 indicates that 1,4-Oxathiane, 4,4-dioxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.8 Ų, 1,4-Oxathiane, 4,4-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Oxathiane, 4,4-dioxide has 0 hydrogen bond donor(s) and 3 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-Oxathiane, 4,4-dioxide?
The CAS number of 1,4-Oxathiane, 4,4-dioxide is 107-61-9.
What is the molecular formula of 1,4-Oxathiane, 4,4-dioxide?
The molecular formula of 1,4-Oxathiane, 4,4-dioxide is C4H8O3S.
What is the molecular weight of 1,4-Oxathiane, 4,4-dioxide?
The molecular weight of 1,4-Oxathiane, 4,4-dioxide is 136.01941 g/mol.
What are the applications of 1,4-Oxathiane, 4,4-dioxide?
1,4-Oxathiane, 4,4-dioxide is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as an oxidizing agent in synthetic sequences. Available from CoreyChem as both catalog item and...
Where can I buy 1,4-Oxathiane, 4,4-dioxide?
You can request a quote for 1,4-Oxathiane, 4,4-dioxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Oxathiane, 4,4-dioxide?
Yes, CoreyChem provides custom synthesis services for 1,4-Oxathiane, 4,4-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.