6-(Methoxymethyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
TL;DR: 6-(Methoxymethyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one (CAS 104197-13-9) is a chemical compound with molecular formula C6H8N2O2S and molecular weight 172.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(methoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 2-mercapto-6-(methoxymethyl)pyrimidin-4-ol, 4-Hydroxy-6-methoxymethylpyrimidine-2-thiol, 6-Methoxymethyl-2-thiouracil, Maybridge1_006870, methoxymethylsulfanylpyrimidinol
| Molecular Formula | C6H8N2O2S |
|---|---|
| Molecular Weight | 172.03 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.03065 |
| Heavy Atoms | 11 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 104197-13-9 |
|---|---|
| SMILES | COCC1=CC(=O)NC(=S)N1 |
| InChIKey | YNVMVIUSRGXSEN-UHFFFAOYSA-N |
Product Overview
6-(Methoxymethyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one (CAS 104197-13-9), with molecular formula C6H8N2O2S and molecular weight 172.03 g/mol. IUPAC: 6-(methoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 6-(Methoxymethyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Property Insights of 6-(Methoxymethyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
The XLogP value of -0.7 indicates that 6-(Methoxymethyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(Methoxymethyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 6-(Methoxymethyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one has 2 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 6-(Methoxymethyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one?
The CAS number of 6-(Methoxymethyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one is 104197-13-9.
What is the molecular formula of 6-(Methoxymethyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one?
The molecular formula of 6-(Methoxymethyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one is C6H8N2O2S.
What is the molecular weight of 6-(Methoxymethyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one?
The molecular weight of 6-(Methoxymethyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one is 172.03 g/mol.
Where can I buy 6-(Methoxymethyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one?
You can request a quote for 6-(Methoxymethyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Methoxymethyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(Methoxymethyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.