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 |
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.
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.