2-(1,3-Dithiol-2-ylidene)malonic acid
TL;DR: 2-(1,3-Dithiol-2-ylidene)malonic acid (CAS 154642-60-1) is a chemical compound with molecular formula C6H4O4S2 and molecular weight 203.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dithiol-2-ylidene)propanedioic acid
Also Known As: 1,3-dithiol-2-ylidenemalonic acid, 2-(1,3-Dithiol-2-ylidene)malonic acid, 2-(1,3-dithiol-2-ylidene)propanedioic Acid
| Molecular Formula | C6H4O4S2 |
|---|---|
| Molecular Weight | 203.96 g/mol |
| LogP | 1.3184 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.9551 |
| Heavy Atoms | 12 |
| Complexity | 265.92322 |
Chemical Identifiers
| CAS Number | 154642-60-1 |
|---|---|
| SMILES | C1=CSC(=C(C(=O)O)C(=O)O)S1 |
Product Overview
2-(1,3-Dithiol-2-ylidene)malonic acid (CAS 154642-60-1), with molecular formula C6H4O4S2 and molecular weight 203.96 g/mol. IUPAC: 2-(1,3-dithiol-2-ylidene)propanedioic acid.
Chemical Property Profile of 2-(1,3-Dithiol-2-ylidene)malonic acid
Property Insights of 2-(1,3-Dithiol-2-ylidene)malonic acid
The XLogP value of 1.3184 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Dithiol-2-ylidene)malonic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Dithiol-2-ylidene)malonic acid. Following Lipinski's Rule of Five, 2-(1,3-Dithiol-2-ylidene)malonic 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-(1,3-Dithiol-2-ylidene)malonic acid?
The CAS number of 2-(1,3-Dithiol-2-ylidene)malonic acid is 154642-60-1.
What is the molecular formula of 2-(1,3-Dithiol-2-ylidene)malonic acid?
The molecular formula of 2-(1,3-Dithiol-2-ylidene)malonic acid is C6H4O4S2.
What is the molecular weight of 2-(1,3-Dithiol-2-ylidene)malonic acid?
The molecular weight of 2-(1,3-Dithiol-2-ylidene)malonic acid is 203.96 g/mol.
Where can I buy 2-(1,3-Dithiol-2-ylidene)malonic acid?
You can request a quote for 2-(1,3-Dithiol-2-ylidene)malonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Dithiol-2-ylidene)malonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Dithiol-2-ylidene)malonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.