5-hydroxy-6-(hydroxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one
TL;DR: 5-hydroxy-6-(hydroxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one (CAS 13922-57-1) is a chemical compound with molecular formula C5H6N2O3S and molecular weight 174.00992 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-hydroxy-6-(hydroxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: NCIOpen2_001865, 5-hydroxy-6-(hydroxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one, 5-hydroxy-6-(hydroxymethyl)-2-sulfanylidene-1H-pyrimidin-4-o, 5-Hydroxy-6-(hydroxymethyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Technical Specifications
| Molecular Formula | C5H6N2O3S |
| Molecular Weight | 174.00992 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.00992 Da |
| Heavy Atoms | 11 |
| Complexity | 248.0 |
| SMILES | C(C1=C(C(=O)NC(=S)N1)O)O |
| InChIKey | SSNJMHKXZFCNQX-UHFFFAOYSA-N |
Chemical Property Profile of 5-hydroxy-6-(hydroxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one
Property Insights of 5-hydroxy-6-(hydroxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one
The XLogP value of -0.8 indicates that 5-hydroxy-6-(hydroxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-hydroxy-6-(hydroxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one. Following Lipinski's Rule of Five, 5-hydroxy-6-(hydroxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-hydroxy-6-(hydroxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The CAS number of 5-hydroxy-6-(hydroxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one is 13922-57-1.
What is the molecular formula of 5-hydroxy-6-(hydroxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The molecular formula of 5-hydroxy-6-(hydroxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one is C5H6N2O3S.
What is the molecular weight of 5-hydroxy-6-(hydroxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The molecular weight of 5-hydroxy-6-(hydroxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one is 174.00992 g/mol.
Where can I buy 5-hydroxy-6-(hydroxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
You can request a quote for 5-hydroxy-6-(hydroxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-hydroxy-6-(hydroxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
Yes, CoreyChem provides custom synthesis services for 5-hydroxy-6-(hydroxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.