4-Amino-2-mercaptopyrimidine-5-carboxylic acid
TL;DR: 4-Amino-2-mercaptopyrimidine-5-carboxylic acid (CAS 875-60-5) is a chemical compound with molecular formula C5H5N3O2S and molecular weight 171.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid
Also Known As: 4-amino-2-mercaptopyrimidine-5-carboxylic acid, 4-amino-2-sulfanylpyrimidine-5-carboxylic acid, 6-amino-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid, 5-pyrimidinecarboxylic acid, 4-amino-2-mercapto-, 4-amino-2-mercaptopyrimidine-5-carboxylicacid
| Molecular Formula | C5H5N3O2S |
|---|---|
| Molecular Weight | 171.01 g/mol |
| LogP | 0.41959 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.01025 |
| Heavy Atoms | 11 |
| Complexity | 345.82593 |
Chemical Identifiers
| CAS Number | 875-60-5 |
|---|---|
| SMILES | C1=NC(=S)NC(=C1C(=O)O)N |
Product Overview
4-Amino-2-mercaptopyrimidine-5-carboxylic acid (CAS 875-60-5), with molecular formula C5H5N3O2S and molecular weight 171.01 g/mol. IUPAC: 6-amino-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid.
Chemical Property Profile of 4-Amino-2-mercaptopyrimidine-5-carboxylic acid
Property Insights of 4-Amino-2-mercaptopyrimidine-5-carboxylic acid
The XLogP value of 0.41959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-2-mercaptopyrimidine-5-carboxylic acid. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-2-mercaptopyrimidine-5-carboxylic acid. Following Lipinski's Rule of Five, 4-Amino-2-mercaptopyrimidine-5-carboxylic acid has 3 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 4-Amino-2-mercaptopyrimidine-5-carboxylic acid?
The CAS number of 4-Amino-2-mercaptopyrimidine-5-carboxylic acid is 875-60-5.
What is the molecular formula of 4-Amino-2-mercaptopyrimidine-5-carboxylic acid?
The molecular formula of 4-Amino-2-mercaptopyrimidine-5-carboxylic acid is C5H5N3O2S.
What is the molecular weight of 4-Amino-2-mercaptopyrimidine-5-carboxylic acid?
The molecular weight of 4-Amino-2-mercaptopyrimidine-5-carboxylic acid is 171.01 g/mol.
Where can I buy 4-Amino-2-mercaptopyrimidine-5-carboxylic acid?
You can request a quote for 4-Amino-2-mercaptopyrimidine-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-2-mercaptopyrimidine-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-2-mercaptopyrimidine-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.