5-Phenyl-2-sulfanyl-4,6-pyrimidinediol
TL;DR: 5-Phenyl-2-sulfanyl-4,6-pyrimidinediol (CAS 42039-84-9) is a chemical compound with molecular formula C10H8N2O2S and molecular weight 220.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 5-phenyl-2-sulfanyl-4,6-pyrimidinediol, 5-phenyl-2-sulfanylpyrimidine-4,6-diol, 6-hydroxy-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one, 6-hydroxy-5-phenyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone, pyrimidin-4(1H)-one, 2,3-dihydro-6-hydroxy-5-phenyl-2-thioxo-
| Molecular Formula | C10H8N2O2S |
|---|---|
| Molecular Weight | 220.03 g/mol |
| LogP | 1.80509 |
| Topological Polar Surface Area | 68.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.03065 |
| Heavy Atoms | 15 |
| Complexity | 586.36163 |
Chemical Identifiers
| CAS Number | 42039-84-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(NC(=S)NC2=O)O |
Product Overview
5-Phenyl-2-sulfanyl-4,6-pyrimidinediol (CAS 42039-84-9), with molecular formula C10H8N2O2S and molecular weight 220.03 g/mol. IUPAC: 6-hydroxy-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 5-Phenyl-2-sulfanyl-4,6-pyrimidinediol
Property Insights of 5-Phenyl-2-sulfanyl-4,6-pyrimidinediol
The XLogP value of 1.80509 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Phenyl-2-sulfanyl-4,6-pyrimidinediol. The TPSA of 68.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Phenyl-2-sulfanyl-4,6-pyrimidinediol. Following Lipinski's Rule of Five, 5-Phenyl-2-sulfanyl-4,6-pyrimidinediol 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
Frequently Asked Questions
What is the CAS number of 5-Phenyl-2-sulfanyl-4,6-pyrimidinediol?
The CAS number of 5-Phenyl-2-sulfanyl-4,6-pyrimidinediol is 42039-84-9.
What is the molecular formula of 5-Phenyl-2-sulfanyl-4,6-pyrimidinediol?
The molecular formula of 5-Phenyl-2-sulfanyl-4,6-pyrimidinediol is C10H8N2O2S.
What is the molecular weight of 5-Phenyl-2-sulfanyl-4,6-pyrimidinediol?
The molecular weight of 5-Phenyl-2-sulfanyl-4,6-pyrimidinediol is 220.03 g/mol.
Where can I buy 5-Phenyl-2-sulfanyl-4,6-pyrimidinediol?
You can request a quote for 5-Phenyl-2-sulfanyl-4,6-pyrimidinediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Phenyl-2-sulfanyl-4,6-pyrimidinediol?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenyl-2-sulfanyl-4,6-pyrimidinediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.