Thiolane-2,5-dicarboxylic acid
TL;DR: Thiolane-2,5-dicarboxylic acid (CAS 877761-15-4) is a chemical compound with molecular formula C6H8O4S and molecular weight 176.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thiolane-2,5-dicarboxylic acid
Also Known As: thiolane-2,5-dicarboxylic acid, 2,5-Anhydro-3,4-dideoxy-2-thiohexaric acid, Thiophane-2,5-dicarboxylic acid, tetrahydro-2,5-thiophenedicarboxylic acid, Tetrahydrothiophene-2,5-dicarboxylic acid
| Molecular Formula | C6H8O4S |
|---|---|
| Molecular Weight | 176.01 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.01433 |
| Heavy Atoms | 11 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 877761-15-4 |
|---|---|
| SMILES | C1CC(SC1C(=O)O)C(=O)O |
| InChIKey | VZKPHLAASBCFGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiolane-2,5-dicarboxylic acid (CAS 877761-15-4), with molecular formula C6H8O4S and molecular weight 176.01 g/mol. IUPAC: thiolane-2,5-dicarboxylic acid.
Chemical Property Profile of Thiolane-2,5-dicarboxylic acid
Property Insights of Thiolane-2,5-dicarboxylic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiolane-2,5-dicarboxylic acid. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiolane-2,5-dicarboxylic acid. Following Lipinski's Rule of Five, Thiolane-2,5-dicarboxylic acid has 2 hydrogen bond donor(s) and 5 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 Thiolane-2,5-dicarboxylic acid?
The CAS number of Thiolane-2,5-dicarboxylic acid is 877761-15-4.
What is the molecular formula of Thiolane-2,5-dicarboxylic acid?
The molecular formula of Thiolane-2,5-dicarboxylic acid is C6H8O4S.
What is the molecular weight of Thiolane-2,5-dicarboxylic acid?
The molecular weight of Thiolane-2,5-dicarboxylic acid is 176.01 g/mol.
Where can I buy Thiolane-2,5-dicarboxylic acid?
You can request a quote for Thiolane-2,5-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiolane-2,5-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Thiolane-2,5-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.