2-Methylthiopyrimidine-4,6-diol
TL;DR: 2-Methylthiopyrimidine-4,6-diol (CAS 1979-98-2) is a chemical compound with molecular formula C5H6N2O2S and molecular weight 158.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one
Also Known As: 4,6-Dihydroxy-2-methylthiopyrimidine, 2-(methylthio)pyrimidine-4,6-diol, 2-Methylthio-4,6-pyrimidinedione, s-mtba, S-Methylthiobarbituric Acid
| Molecular Formula | C5H6N2O2S |
|---|---|
| Molecular Weight | 158.01 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.015 |
| Heavy Atoms | 10 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 1979-98-2 |
|---|---|
| SMILES | CSC1=NC(=CC(=O)N1)O |
| InChIKey | AEXCUJUYEZIWJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methylthiopyrimidine-4,6-diol (CAS 1979-98-2), with molecular formula C5H6N2O2S and molecular weight 158.01 g/mol. IUPAC: 4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one.
Chemical Property Profile of 2-Methylthiopyrimidine-4,6-diol
Property Insights of 2-Methylthiopyrimidine-4,6-diol
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylthiopyrimidine-4,6-diol. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methylthiopyrimidine-4,6-diol. Following Lipinski's Rule of Five, 2-Methylthiopyrimidine-4,6-diol has 2 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-Methylthiopyrimidine-4,6-diol?
The CAS number of 2-Methylthiopyrimidine-4,6-diol is 1979-98-2.
What is the molecular formula of 2-Methylthiopyrimidine-4,6-diol?
The molecular formula of 2-Methylthiopyrimidine-4,6-diol is C5H6N2O2S.
What is the molecular weight of 2-Methylthiopyrimidine-4,6-diol?
The molecular weight of 2-Methylthiopyrimidine-4,6-diol is 158.01 g/mol.
Where can I buy 2-Methylthiopyrimidine-4,6-diol?
You can request a quote for 2-Methylthiopyrimidine-4,6-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylthiopyrimidine-4,6-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylthiopyrimidine-4,6-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.