6-Sulfanylpyrimidine-4-carboxylic acid
TL;DR: 6-Sulfanylpyrimidine-4-carboxylic acid (CAS 6944-71-4) is a chemical compound with molecular formula C5H4N2O2S and molecular weight 156.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-sulfanylidene-1H-pyrimidine-6-carboxylic acid
Also Known As: 6-sulfanylpyrimidine-4-carboxylic acid, 6-Thioxo-1,6-dihydropyrimidine-4-carboxylic acid, 4-Pyrimidinecarboxylicacid, 1,6-dihydro-6-thioxo-, 4-sulfanylidene-1H-pyrimidine-6-carboxylic acid, 6-thioxo-3,6-dihydropyrimidine-4-carboxylic acid
| Molecular Formula | C5H4N2O2S |
|---|---|
| Molecular Weight | 156.00 g/mol |
| LogP | 0.83739 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 155.99934 |
| Heavy Atoms | 10 |
| Complexity | 306.5163 |
Chemical Identifiers
| CAS Number | 6944-71-4 |
|---|---|
| SMILES | C1=C(NC=NC1=S)C(=O)O |
Product Overview
6-Sulfanylpyrimidine-4-carboxylic acid (CAS 6944-71-4), with molecular formula C5H4N2O2S and molecular weight 156.00 g/mol. IUPAC: 4-sulfanylidene-1H-pyrimidine-6-carboxylic acid.
Chemical Property Profile of 6-Sulfanylpyrimidine-4-carboxylic acid
Property Insights of 6-Sulfanylpyrimidine-4-carboxylic acid
The XLogP value of 0.83739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Sulfanylpyrimidine-4-carboxylic acid. The TPSA of 65.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Sulfanylpyrimidine-4-carboxylic acid. Following Lipinski's Rule of Five, 6-Sulfanylpyrimidine-4-carboxylic acid has 2 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 6-Sulfanylpyrimidine-4-carboxylic acid?
The CAS number of 6-Sulfanylpyrimidine-4-carboxylic acid is 6944-71-4.
What is the molecular formula of 6-Sulfanylpyrimidine-4-carboxylic acid?
The molecular formula of 6-Sulfanylpyrimidine-4-carboxylic acid is C5H4N2O2S.
What is the molecular weight of 6-Sulfanylpyrimidine-4-carboxylic acid?
The molecular weight of 6-Sulfanylpyrimidine-4-carboxylic acid is 156.00 g/mol.
Where can I buy 6-Sulfanylpyrimidine-4-carboxylic acid?
You can request a quote for 6-Sulfanylpyrimidine-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Sulfanylpyrimidine-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Sulfanylpyrimidine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.