2-(1,1-dioxothiolan-3-yl)propanedioic Acid
TL;DR: 2-(1,1-dioxothiolan-3-yl)propanedioic Acid (CAS 4785-65-3) is a chemical compound with molecular formula C7H10O6S and molecular weight 222.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,1-dioxothiolan-3-yl)propanedioic acid
Also Known As: 2-(1,1-dioxothiolan-3-yl)propanedioic Acid, (1,1-Dioxidotetrahydro-3-thienyl)malonic acid, 2-(1,1-DIOXO-1??-THIOLAN-3-YL)PROPANEDIOIC ACID
| Molecular Formula | C7H10O6S |
|---|---|
| Molecular Weight | 222.02 g/mol |
| LogP | -0.7935 |
| Topological Polar Surface Area | 108.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.0198 |
| Heavy Atoms | 14 |
| Complexity | 342.3763 |
Chemical Identifiers
| CAS Number | 4785-65-3 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1C(C(=O)O)C(=O)O |
Product Overview
2-(1,1-dioxothiolan-3-yl)propanedioic Acid (CAS 4785-65-3), with molecular formula C7H10O6S and molecular weight 222.02 g/mol. IUPAC: 2-(1,1-dioxothiolan-3-yl)propanedioic acid.
Chemical Property Profile of 2-(1,1-dioxothiolan-3-yl)propanedioic Acid
Property Insights of 2-(1,1-dioxothiolan-3-yl)propanedioic Acid
The XLogP value of -0.7935 indicates that 2-(1,1-dioxothiolan-3-yl)propanedioic Acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,1-dioxothiolan-3-yl)propanedioic Acid. Following Lipinski's Rule of Five, 2-(1,1-dioxothiolan-3-yl)propanedioic Acid has 2 hydrogen bond donor(s) and 4 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 2-(1,1-dioxothiolan-3-yl)propanedioic Acid?
The CAS number of 2-(1,1-dioxothiolan-3-yl)propanedioic Acid is 4785-65-3.
What is the molecular formula of 2-(1,1-dioxothiolan-3-yl)propanedioic Acid?
The molecular formula of 2-(1,1-dioxothiolan-3-yl)propanedioic Acid is C7H10O6S.
What is the molecular weight of 2-(1,1-dioxothiolan-3-yl)propanedioic Acid?
The molecular weight of 2-(1,1-dioxothiolan-3-yl)propanedioic Acid is 222.02 g/mol.
Where can I buy 2-(1,1-dioxothiolan-3-yl)propanedioic Acid?
You can request a quote for 2-(1,1-dioxothiolan-3-yl)propanedioic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,1-dioxothiolan-3-yl)propanedioic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,1-dioxothiolan-3-yl)propanedioic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.