1,2-Oxathiolan-5-one, 2,2-dioxide
TL;DR: 1,2-Oxathiolan-5-one, 2,2-dioxide (CAS 5961-88-6) is a chemical compound with molecular formula C3H4O4S and molecular weight 135.98303 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dioxooxathiolan-5-one
Also Known As: Sulfopropionic anhydride, 2,2-dioxooxathiolan-5-one, B-SulfopropionicAnhydride, Sulfopropanoic anhydride, 1,2-Oxathiolan-5-one, 2,2-dioxide
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H4O4S |
| Molecular Weight | 135.98303 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 135.98303 Da |
| Heavy Atoms | 8 |
| Complexity | 196.0 |
| SMILES | C1CS(=O)(=O)OC1=O |
| InChIKey | RVLHNHNPUBWSEE-UHFFFAOYSA-N |
Chemical Property Profile of 1,2-Oxathiolan-5-one, 2,2-dioxide
Property Insights of 1,2-Oxathiolan-5-one, 2,2-dioxide
The XLogP value of -0.6 indicates that 1,2-Oxathiolan-5-one, 2,2-dioxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Oxathiolan-5-one, 2,2-dioxide. Following Lipinski's Rule of Five, 1,2-Oxathiolan-5-one, 2,2-dioxide has 0 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 1,2-Oxathiolan-5-one, 2,2-dioxide?
The CAS number of 1,2-Oxathiolan-5-one, 2,2-dioxide is 5961-88-6.
What is the molecular formula of 1,2-Oxathiolan-5-one, 2,2-dioxide?
The molecular formula of 1,2-Oxathiolan-5-one, 2,2-dioxide is C3H4O4S.
What is the molecular weight of 1,2-Oxathiolan-5-one, 2,2-dioxide?
The molecular weight of 1,2-Oxathiolan-5-one, 2,2-dioxide is 135.98303 g/mol.
Where can I buy 1,2-Oxathiolan-5-one, 2,2-dioxide?
You can request a quote for 1,2-Oxathiolan-5-one, 2,2-dioxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2-Oxathiolan-5-one, 2,2-dioxide?
Yes, CoreyChem provides custom synthesis services for 1,2-Oxathiolan-5-one, 2,2-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.