2-Oxo-1,3-dithiole-4,5-dicarboxamide
TL;DR: 2-Oxo-1,3-dithiole-4,5-dicarboxamide (CAS 938-77-2) is a chemical compound with molecular formula C5H4N2O3S2 and molecular weight 203.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-1,3-dithiole-4,5-dicarboxamide
Also Known As: 2-oxo-1,3-dithiole-4,5-dicarboxamide, 2-Oxo-1,3-dithiol-4,5-dicarboxamide, 2-oxo-1,3-dithiolene-4,5-dicarboxamide, 2-oxo-2H-1,3-dithiole-4,5-dicarboxamide, 2-oxo-1,3-dithiol-4,5-dicarboxylic acid diamide
| Molecular Formula | C5H4N2O3S2 |
|---|---|
| Molecular Weight | 203.97 g/mol |
| LogP | -0.6324 |
| Topological Polar Surface Area | 103.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.96634 |
| Heavy Atoms | 12 |
| Complexity | 357.14276 |
Chemical Identifiers
| CAS Number | 938-77-2 |
|---|---|
| SMILES | C1(=C(SC(=O)S1)C(=O)N)C(=O)N |
Product Overview
2-Oxo-1,3-dithiole-4,5-dicarboxamide (CAS 938-77-2), with molecular formula C5H4N2O3S2 and molecular weight 203.97 g/mol. IUPAC: 2-oxo-1,3-dithiole-4,5-dicarboxamide.
Chemical Property Profile of 2-Oxo-1,3-dithiole-4,5-dicarboxamide
Property Insights of 2-Oxo-1,3-dithiole-4,5-dicarboxamide
The XLogP value of -0.6324 indicates that 2-Oxo-1,3-dithiole-4,5-dicarboxamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 103.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-1,3-dithiole-4,5-dicarboxamide. Following Lipinski's Rule of Five, 2-Oxo-1,3-dithiole-4,5-dicarboxamide 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 2-Oxo-1,3-dithiole-4,5-dicarboxamide?
The CAS number of 2-Oxo-1,3-dithiole-4,5-dicarboxamide is 938-77-2.
What is the molecular formula of 2-Oxo-1,3-dithiole-4,5-dicarboxamide?
The molecular formula of 2-Oxo-1,3-dithiole-4,5-dicarboxamide is C5H4N2O3S2.
What is the molecular weight of 2-Oxo-1,3-dithiole-4,5-dicarboxamide?
The molecular weight of 2-Oxo-1,3-dithiole-4,5-dicarboxamide is 203.97 g/mol.
Where can I buy 2-Oxo-1,3-dithiole-4,5-dicarboxamide?
You can request a quote for 2-Oxo-1,3-dithiole-4,5-dicarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-1,3-dithiole-4,5-dicarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-1,3-dithiole-4,5-dicarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.