![Methyl [(4,6-Dihydroxypyrimidin-2-yl)thio]acetate structure](/static/products/3700/370077-73-9.webp)
Methyl [(4,6-Dihydroxypyrimidin-2-yl)thio]acetate
TL;DR: Methyl [(4,6-Dihydroxypyrimidin-2-yl)thio]acetate (CAS 370077-73-9) is a chemical compound with molecular formula C7H8N2O4S and molecular weight 216.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate
Also Known As: Methyl [(4,6-Dihydroxypyrimidin-2-yl)thio]acetate, Methyl 2-((4,6-dihydroxypyrimidin-2-yl)thio)acetate, Methyl (4,6-dihydroxypyrimidin-2-ylsulfanyl)-acetate, methyl 2-[(4,6-dihydroxypyrimidin-2-yl)sulfanyl]acetate, methyl 2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate
| Molecular Formula | C7H8N2O4S |
|---|---|
| Molecular Weight | 216.02 g/mol |
| LogP | -0.2594 |
| Topological Polar Surface Area | 92.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.02048 |
| Heavy Atoms | 14 |
| Complexity | 389.52133 |
Chemical Identifiers
| CAS Number | 370077-73-9 |
|---|---|
| SMILES | COC(=O)CSC1=NC(=CC(=O)N1)O |
Product Overview
Methyl [(4,6-Dihydroxypyrimidin-2-yl)thio]acetate (CAS 370077-73-9), with molecular formula C7H8N2O4S and molecular weight 216.02 g/mol. IUPAC: methyl 2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate.
Chemical Property Profile of Methyl [(4,6-Dihydroxypyrimidin-2-yl)thio]acetate
Property Insights of Methyl [(4,6-Dihydroxypyrimidin-2-yl)thio]acetate
The XLogP value of -0.2594 indicates that Methyl [(4,6-Dihydroxypyrimidin-2-yl)thio]acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.28 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl [(4,6-Dihydroxypyrimidin-2-yl)thio]acetate. Following Lipinski's Rule of Five, Methyl [(4,6-Dihydroxypyrimidin-2-yl)thio]acetate has 2 hydrogen bond donor(s) and 6 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 Methyl [(4,6-Dihydroxypyrimidin-2-yl)thio]acetate?
The CAS number of Methyl [(4,6-Dihydroxypyrimidin-2-yl)thio]acetate is 370077-73-9.
What is the molecular formula of Methyl [(4,6-Dihydroxypyrimidin-2-yl)thio]acetate?
The molecular formula of Methyl [(4,6-Dihydroxypyrimidin-2-yl)thio]acetate is C7H8N2O4S.
What is the molecular weight of Methyl [(4,6-Dihydroxypyrimidin-2-yl)thio]acetate?
The molecular weight of Methyl [(4,6-Dihydroxypyrimidin-2-yl)thio]acetate is 216.02 g/mol.
Where can I buy Methyl [(4,6-Dihydroxypyrimidin-2-yl)thio]acetate?
You can request a quote for Methyl [(4,6-Dihydroxypyrimidin-2-yl)thio]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl [(4,6-Dihydroxypyrimidin-2-yl)thio]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl [(4,6-Dihydroxypyrimidin-2-yl)thio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.