1,3-Oxathiolane 3,3-dioxide
TL;DR: 1,3-Oxathiolane 3,3-dioxide (CAS 113811-49-7) is a chemical compound with molecular formula C3H6O3S and molecular weight 122.00377 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-oxathiolane 3,3-dioxide
Also Known As: 1,3-oxathiolane 3,3-dioxide, 1,3-oxathiolane-S,S-dioxide, 1,3-Oxothiolan-3,3-dioxid, 1,3-Oxathiolane,3,3-dioxide, KST-1A9914
Technical Specifications
| Molecular Formula | C3H6O3S |
| Molecular Weight | 122.00377 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 122.00377 Da |
| Heavy Atoms | 7 |
| Complexity | 140.0 |
| SMILES | C1CS(=O)(=O)CO1 |
| InChIKey | DZFGXKNCJDABQS-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Oxathiolane 3,3-dioxide
Property Insights of 1,3-Oxathiolane 3,3-dioxide
The XLogP value of -0.7 indicates that 1,3-Oxathiolane 3,3-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, 1,3-Oxathiolane 3,3-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Oxathiolane 3,3-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 1,3-Oxathiolane 3,3-dioxide?
The CAS number of 1,3-Oxathiolane 3,3-dioxide is 113811-49-7.
What is the molecular formula of 1,3-Oxathiolane 3,3-dioxide?
The molecular formula of 1,3-Oxathiolane 3,3-dioxide is C3H6O3S.
What is the molecular weight of 1,3-Oxathiolane 3,3-dioxide?
The molecular weight of 1,3-Oxathiolane 3,3-dioxide is 122.00377 g/mol.
Where can I buy 1,3-Oxathiolane 3,3-dioxide?
You can request a quote for 1,3-Oxathiolane 3,3-dioxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Oxathiolane 3,3-dioxide?
Yes, CoreyChem provides custom synthesis services for 1,3-Oxathiolane 3,3-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.