5-benzyl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
TL;DR: 5-benzyl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one (CAS 15018-53-8) is a chemical compound with molecular formula C11H10N2O2S and molecular weight 234.0463 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-benzyl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 5-benzyl-2-mercaptopyrimidine-4,6-diol, 5-benzyl-2-sulfanylpyrimidine-4,6-diol, 5-benzyl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one, 5-benzyl-2-sulfanyl-4,6(1H,5H)-pyrimidinedione, 5-benzyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H10N2O2S |
| Molecular Weight | 234.0463 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 93.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.0463 Da |
| Heavy Atoms | 16 |
| Complexity | 346.0 |
| SMILES | C1=CC=C(C=C1)CC2=C(NC(=S)NC2=O)O |
| InChIKey | AXCSOXZEMYWNPS-UHFFFAOYSA-N |
Chemical Property Profile of 5-benzyl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
Property Insights of 5-benzyl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-benzyl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-benzyl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one. Following Lipinski's Rule of Five, 5-benzyl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one 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
What is the CAS number of 5-benzyl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one?
The CAS number of 5-benzyl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one is 15018-53-8.
What is the molecular formula of 5-benzyl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one?
The molecular formula of 5-benzyl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one is C11H10N2O2S.
What is the molecular weight of 5-benzyl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one?
The molecular weight of 5-benzyl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one is 234.0463 g/mol.
Where can I buy 5-benzyl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one?
You can request a quote for 5-benzyl-6-hydroxy-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-benzyl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one?
Yes, CoreyChem provides custom synthesis services for 5-benzyl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.