2-Amino-6-sulfanylidene-3,6-dihydropyrimidine-4-carboxylic acid
TL;DR: 2-Amino-6-sulfanylidene-3,6-dihydropyrimidine-4-carboxylic acid (CAS 6301-34-4) 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.
2-amino-4-sulfanylidene-1H-pyrimidine-6-carboxylic acid
Also Known As: 2-Amino-6-mercapto-pyrimidin-carbonsaeure-(4), 2-amino-4-sulfanylidene-1H-pyrimidine-6-carboxylic acid, 2-Amino-6-sulfanylidene-3,6-dihydropyrimidine-4-carboxylic acid, 2-amino-6-thioxo-1,6-dihydro-pyrimidine-4-carboxylic acid, 2-Amino-6-thioxo-1,6-dihydropyrimidine-4-carboxylic acid
| 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 | 6301-34-4 |
|---|---|
| SMILES | C1=C(NC(=NC1=S)N)C(=O)O |
Product Overview
2-Amino-6-sulfanylidene-3,6-dihydropyrimidine-4-carboxylic acid (CAS 6301-34-4), with molecular formula C5H5N3O2S and molecular weight 171.01 g/mol. IUPAC: 2-amino-4-sulfanylidene-1H-pyrimidine-6-carboxylic acid.
Chemical Property Profile of 2-Amino-6-sulfanylidene-3,6-dihydropyrimidine-4-carboxylic acid
Property Insights of 2-Amino-6-sulfanylidene-3,6-dihydropyrimidine-4-carboxylic acid
The XLogP value of 0.41959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-6-sulfanylidene-3,6-dihydropyrimidine-4-carboxylic acid. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-6-sulfanylidene-3,6-dihydropyrimidine-4-carboxylic acid. Following Lipinski's Rule of Five, 2-Amino-6-sulfanylidene-3,6-dihydropyrimidine-4-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 2-Amino-6-sulfanylidene-3,6-dihydropyrimidine-4-carboxylic acid?
The CAS number of 2-Amino-6-sulfanylidene-3,6-dihydropyrimidine-4-carboxylic acid is 6301-34-4.
What is the molecular formula of 2-Amino-6-sulfanylidene-3,6-dihydropyrimidine-4-carboxylic acid?
The molecular formula of 2-Amino-6-sulfanylidene-3,6-dihydropyrimidine-4-carboxylic acid is C5H5N3O2S.
What is the molecular weight of 2-Amino-6-sulfanylidene-3,6-dihydropyrimidine-4-carboxylic acid?
The molecular weight of 2-Amino-6-sulfanylidene-3,6-dihydropyrimidine-4-carboxylic acid is 171.01 g/mol.
Where can I buy 2-Amino-6-sulfanylidene-3,6-dihydropyrimidine-4-carboxylic acid?
You can request a quote for 2-Amino-6-sulfanylidene-3,6-dihydropyrimidine-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 2-Amino-6-sulfanylidene-3,6-dihydropyrimidine-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-6-sulfanylidene-3,6-dihydropyrimidine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.