4,6-Dihydroxy-2-mercaptopyrimidine
TL;DR: 4,6-Dihydroxy-2-mercaptopyrimidine (CAS 91759-32-9) is a chemical compound with molecular formula C4H4N2O2S and molecular weight 144.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 2-mercaptopyrimidine-4,6-diol, 4,6-Dihydroxy-2-mercaptopyrimidine, Thiobarbituric, Thiobarbituric acid, 2-sulfanylpyrimidine-4,6-diol
| Molecular Formula | C4H4N2O2S |
|---|---|
| Molecular Weight | 144.00 g/mol |
| LogP | 0.13809 |
| Topological Polar Surface Area | 68.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 143.99934 |
| Heavy Atoms | 9 |
| Complexity | 284.58395 |
Chemical Identifiers
| CAS Number | 91759-32-9 |
|---|---|
| SMILES | C1=C(NC(=S)NC1=O)O |
Product Overview
4,6-Dihydroxy-2-mercaptopyrimidine (CAS 91759-32-9), with molecular formula C4H4N2O2S and molecular weight 144.00 g/mol. IUPAC: 6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 4,6-Dihydroxy-2-mercaptopyrimidine
Property Insights of 4,6-Dihydroxy-2-mercaptopyrimidine
The XLogP value of 0.13809 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dihydroxy-2-mercaptopyrimidine. The TPSA of 68.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Dihydroxy-2-mercaptopyrimidine. Following Lipinski's Rule of Five, 4,6-Dihydroxy-2-mercaptopyrimidine has 3 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 4,6-Dihydroxy-2-mercaptopyrimidine?
The CAS number of 4,6-Dihydroxy-2-mercaptopyrimidine is 91759-32-9.
What is the molecular formula of 4,6-Dihydroxy-2-mercaptopyrimidine?
The molecular formula of 4,6-Dihydroxy-2-mercaptopyrimidine is C4H4N2O2S.
What is the molecular weight of 4,6-Dihydroxy-2-mercaptopyrimidine?
The molecular weight of 4,6-Dihydroxy-2-mercaptopyrimidine is 144.00 g/mol.
Where can I buy 4,6-Dihydroxy-2-mercaptopyrimidine?
You can request a quote for 4,6-Dihydroxy-2-mercaptopyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dihydroxy-2-mercaptopyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dihydroxy-2-mercaptopyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.