Methyl 2-(1,1-dioxothiolan-3-yl)sulfonylacetate
TL;DR: Methyl 2-(1,1-dioxothiolan-3-yl)sulfonylacetate (CAS 86453-16-9) is a chemical compound with molecular formula C7H12O6S2 and molecular weight 256.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1,1-dioxothiolan-3-yl)sulfonylacetate
Also Known As: methyl 2-(1,1-dioxothiolan-3-yl)sulfonylacetate, methyl [(1,1-dioxidotetrahydrothiophen-3-yl)sulfonyl]acetate, Methyl (1,1-dioxo-1lambda~6~-thiolane-3-sulfonyl)acetate, methyl 2-((1,1-dioxidotetrahydrothiophen-3-yl)sulfonyl)acetate
| Molecular Formula | C7H12O6S2 |
|---|---|
| Molecular Weight | 256.01 g/mol |
| LogP | -1.2387 |
| Topological Polar Surface Area | 94.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.00754 |
| Heavy Atoms | 15 |
| Complexity | 445.87207 |
Chemical Identifiers
| CAS Number | 86453-16-9 |
|---|---|
| SMILES | COC(=O)CS(=O)(=O)C1CCS(=O)(=O)C1 |
Product Overview
Methyl 2-(1,1-dioxothiolan-3-yl)sulfonylacetate (CAS 86453-16-9), with molecular formula C7H12O6S2 and molecular weight 256.01 g/mol. IUPAC: methyl 2-(1,1-dioxothiolan-3-yl)sulfonylacetate.
Chemical Property Profile of Methyl 2-(1,1-dioxothiolan-3-yl)sulfonylacetate
Property Insights of Methyl 2-(1,1-dioxothiolan-3-yl)sulfonylacetate
The XLogP value of -1.2387 indicates that Methyl 2-(1,1-dioxothiolan-3-yl)sulfonylacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.58 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(1,1-dioxothiolan-3-yl)sulfonylacetate. Following Lipinski's Rule of Five, Methyl 2-(1,1-dioxothiolan-3-yl)sulfonylacetate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 2-(1,1-dioxothiolan-3-yl)sulfonylacetate?
The CAS number of Methyl 2-(1,1-dioxothiolan-3-yl)sulfonylacetate is 86453-16-9.
What is the molecular formula of Methyl 2-(1,1-dioxothiolan-3-yl)sulfonylacetate?
The molecular formula of Methyl 2-(1,1-dioxothiolan-3-yl)sulfonylacetate is C7H12O6S2.
What is the molecular weight of Methyl 2-(1,1-dioxothiolan-3-yl)sulfonylacetate?
The molecular weight of Methyl 2-(1,1-dioxothiolan-3-yl)sulfonylacetate is 256.01 g/mol.
Where can I buy Methyl 2-(1,1-dioxothiolan-3-yl)sulfonylacetate?
You can request a quote for Methyl 2-(1,1-dioxothiolan-3-yl)sulfonylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(1,1-dioxothiolan-3-yl)sulfonylacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(1,1-dioxothiolan-3-yl)sulfonylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.