1,2-Dithiane-3-carboxylic acid
TL;DR: 1,2-Dithiane-3-carboxylic acid (CAS 14091-98-6) is a chemical compound with molecular formula C5H8O2S2 and molecular weight 163.99657 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dithiane-3-carboxylic acid
Also Known As: 1,2-Dithiane-3-carboxylic acid, dithianecarboxylic, dithiane-3-carboxylic acid, starbld0021810, o-Dithiane-3-carboxylic acid
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H8O2S2 |
| Molecular Weight | 163.99657 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 87.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.99657 Da |
| Heavy Atoms | 9 |
| Complexity | 116.0 |
| SMILES | C1CC(SSC1)C(=O)O |
| InChIKey | JYWJCVNSTMEANR-UHFFFAOYSA-N |
Chemical Property Profile of 1,2-Dithiane-3-carboxylic acid
Property Insights of 1,2-Dithiane-3-carboxylic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dithiane-3-carboxylic acid. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Dithiane-3-carboxylic acid. Following Lipinski's Rule of Five, 1,2-Dithiane-3-carboxylic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,2-Dithiane-3-carboxylic acid?
The CAS number of 1,2-Dithiane-3-carboxylic acid is 14091-98-6.
What is the molecular formula of 1,2-Dithiane-3-carboxylic acid?
The molecular formula of 1,2-Dithiane-3-carboxylic acid is C5H8O2S2.
What is the molecular weight of 1,2-Dithiane-3-carboxylic acid?
The molecular weight of 1,2-Dithiane-3-carboxylic acid is 163.99657 g/mol.
Where can I buy 1,2-Dithiane-3-carboxylic acid?
You can request a quote for 1,2-Dithiane-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2-Dithiane-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 1,2-Dithiane-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.