Dimethyl 2-(1,1-dioxothiolan-3-yl)propanedioate
TL;DR: Dimethyl 2-(1,1-dioxothiolan-3-yl)propanedioate (CAS 321979-03-7) is a chemical compound with molecular formula C9H14O6S and molecular weight 250.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(1,1-dioxothiolan-3-yl)propanedioate
Also Known As: dimethyl 2-(1,1-dioxothiolan-3-yl)propanedioate, BAS 00617582, dimethyl (1,1-dioxidotetrahydrothiophen-3-yl)propanedioate, dimethyl 2-(1,1-dioxidotetrahydrothiophen-3-yl)malonate, 1,3-dimethyl 2-(1,1-dioxo-1lambda-thiolan-3-yl)propanedioate
| Molecular Formula | C9H14O6S |
|---|---|
| Molecular Weight | 250.05 g/mol |
| LogP | -0.6167 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.05112 |
| Heavy Atoms | 16 |
| Complexity | 368.8034 |
Chemical Identifiers
| CAS Number | 321979-03-7 |
|---|---|
| SMILES | COC(=O)C(C1CCS(=O)(=O)C1)C(=O)OC |
Product Overview
Dimethyl 2-(1,1-dioxothiolan-3-yl)propanedioate (CAS 321979-03-7), with molecular formula C9H14O6S and molecular weight 250.05 g/mol. IUPAC: dimethyl 2-(1,1-dioxothiolan-3-yl)propanedioate.
Chemical Property Profile of Dimethyl 2-(1,1-dioxothiolan-3-yl)propanedioate
Property Insights of Dimethyl 2-(1,1-dioxothiolan-3-yl)propanedioate
The XLogP value of -0.6167 indicates that Dimethyl 2-(1,1-dioxothiolan-3-yl)propanedioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-(1,1-dioxothiolan-3-yl)propanedioate. Following Lipinski's Rule of Five, Dimethyl 2-(1,1-dioxothiolan-3-yl)propanedioate 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 Dimethyl 2-(1,1-dioxothiolan-3-yl)propanedioate?
The CAS number of Dimethyl 2-(1,1-dioxothiolan-3-yl)propanedioate is 321979-03-7.
What is the molecular formula of Dimethyl 2-(1,1-dioxothiolan-3-yl)propanedioate?
The molecular formula of Dimethyl 2-(1,1-dioxothiolan-3-yl)propanedioate is C9H14O6S.
What is the molecular weight of Dimethyl 2-(1,1-dioxothiolan-3-yl)propanedioate?
The molecular weight of Dimethyl 2-(1,1-dioxothiolan-3-yl)propanedioate is 250.05 g/mol.
Where can I buy Dimethyl 2-(1,1-dioxothiolan-3-yl)propanedioate?
You can request a quote for Dimethyl 2-(1,1-dioxothiolan-3-yl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-(1,1-dioxothiolan-3-yl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(1,1-dioxothiolan-3-yl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.