1,2-Dithiolane-4-carboxylic acid, 1-oxide
TL;DR: 1,2-Dithiolane-4-carboxylic acid, 1-oxide (CAS 3083-96-3) is a chemical compound with molecular formula C4H6O3S2 and molecular weight 165.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxodithiolane-4-carboxylic acid
Also Known As: 1-oxo-1, 1,2-Dithiolane-4-carboxylic acid, 1-oxide, 1-oxodithiolane-4-carboxylic acid, Asparagusic acid syn-S-oxide, 1,2-Dithiolane-4-carboxylicacid, 1-oxide
| Molecular Formula | C4H6O3S2 |
|---|---|
| Molecular Weight | 165.98 g/mol |
| LogP | 0.0977 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.97583 |
| Heavy Atoms | 9 |
| Complexity | 155.89174 |
Chemical Identifiers
| CAS Number | 3083-96-3 |
|---|---|
| SMILES | C1C(CS(=O)S1)C(=O)O |
Product Overview
1,2-Dithiolane-4-carboxylic acid, 1-oxide (CAS 3083-96-3), with molecular formula C4H6O3S2 and molecular weight 165.98 g/mol. IUPAC: 1-oxodithiolane-4-carboxylic acid.
Chemical Property Profile of 1,2-Dithiolane-4-carboxylic acid, 1-oxide
Property Insights of 1,2-Dithiolane-4-carboxylic acid, 1-oxide
The XLogP value of 0.0977 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dithiolane-4-carboxylic acid, 1-oxide. With a topological polar surface area (TPSA) of 54.37 Ų, 1,2-Dithiolane-4-carboxylic acid, 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dithiolane-4-carboxylic acid, 1-oxide has 1 hydrogen bond donor(s) and 3 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 1,2-Dithiolane-4-carboxylic acid, 1-oxide?
The CAS number of 1,2-Dithiolane-4-carboxylic acid, 1-oxide is 3083-96-3.
What is the molecular formula of 1,2-Dithiolane-4-carboxylic acid, 1-oxide?
The molecular formula of 1,2-Dithiolane-4-carboxylic acid, 1-oxide is C4H6O3S2.
What is the molecular weight of 1,2-Dithiolane-4-carboxylic acid, 1-oxide?
The molecular weight of 1,2-Dithiolane-4-carboxylic acid, 1-oxide is 165.98 g/mol.
Where can I buy 1,2-Dithiolane-4-carboxylic acid, 1-oxide?
You can request a quote for 1,2-Dithiolane-4-carboxylic acid, 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dithiolane-4-carboxylic acid, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dithiolane-4-carboxylic acid, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.