2-(Benzylthio)pyrimidine-4,6-diol
TL;DR: 2-(Benzylthio)pyrimidine-4,6-diol (CAS 148020-95-5) 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.
2-benzylsulfanyl-4-hydroxy-1H-pyrimidin-6-one
Also Known As: 2-(BENZYLTHIO)PYRIMIDINE-4,6-DIOL, 2-Benzylsulfanyl-pyrimidine-4,6-diol, 2-(benzylsulfanyl)pyrimidine-4,6-diol, BAS 01290666, 2-(benzylsulfanyl)-4,6-pyrimidinediol
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H10N2O2S |
| Molecular Weight | 234.0463 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 87.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.0463 Da |
| Heavy Atoms | 16 |
| Complexity | 333.0 |
| SMILES | C1=CC=C(C=C1)CSC2=NC(=CC(=O)N2)O |
| InChIKey | QAISFVUWGZBCDK-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Benzylthio)pyrimidine-4,6-diol
Property Insights of 2-(Benzylthio)pyrimidine-4,6-diol
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzylthio)pyrimidine-4,6-diol. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzylthio)pyrimidine-4,6-diol. Following Lipinski's Rule of Five, 2-(Benzylthio)pyrimidine-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
What is the CAS number of 2-(Benzylthio)pyrimidine-4,6-diol?
The CAS number of 2-(Benzylthio)pyrimidine-4,6-diol is 148020-95-5.
What is the molecular formula of 2-(Benzylthio)pyrimidine-4,6-diol?
The molecular formula of 2-(Benzylthio)pyrimidine-4,6-diol is C11H10N2O2S.
What is the molecular weight of 2-(Benzylthio)pyrimidine-4,6-diol?
The molecular weight of 2-(Benzylthio)pyrimidine-4,6-diol is 234.0463 g/mol.
Where can I buy 2-(Benzylthio)pyrimidine-4,6-diol?
You can request a quote for 2-(Benzylthio)pyrimidine-4,6-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Benzylthio)pyrimidine-4,6-diol?
Yes, CoreyChem provides custom synthesis services for 2-(Benzylthio)pyrimidine-4,6-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.