6-(Fluoromethyl)-2-mercapto-4-pyrimidinol
TL;DR: 6-(Fluoromethyl)-2-mercapto-4-pyrimidinol (CAS 1598-62-5) is a chemical compound with molecular formula C5H5FN2OS and molecular weight 160.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(fluoromethyl)-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: NCIStruc1_000009, NCIStruc2_000129, 6-(fluoromethyl)-2-mercapto-4-pyrimidinol, NCI60_002889, 6-(fluoromethyl)-2-sulfanylidene-1H-pyrimidin-4-one
| Molecular Formula | C5H5FN2OS |
|---|---|
| Molecular Weight | 160.01 g/mol |
| LogP | 0.90199 |
| Topological Polar Surface Area | 48.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.01067 |
| Heavy Atoms | 10 |
| Complexity | 300.6601 |
Chemical Identifiers
| CAS Number | 1598-62-5 |
|---|---|
| SMILES | C1=C(NC(=S)NC1=O)CF |
Product Overview
6-(Fluoromethyl)-2-mercapto-4-pyrimidinol (CAS 1598-62-5), with molecular formula C5H5FN2OS and molecular weight 160.01 g/mol. IUPAC: 6-(fluoromethyl)-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 6-(Fluoromethyl)-2-mercapto-4-pyrimidinol
Property Insights of 6-(Fluoromethyl)-2-mercapto-4-pyrimidinol
The XLogP value of 0.90199 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Fluoromethyl)-2-mercapto-4-pyrimidinol. With a topological polar surface area (TPSA) of 48.65 Ų, 6-(Fluoromethyl)-2-mercapto-4-pyrimidinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(Fluoromethyl)-2-mercapto-4-pyrimidinol has 2 hydrogen bond donor(s) and 2 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-(Fluoromethyl)-2-mercapto-4-pyrimidinol?
The CAS number of 6-(Fluoromethyl)-2-mercapto-4-pyrimidinol is 1598-62-5.
What is the molecular formula of 6-(Fluoromethyl)-2-mercapto-4-pyrimidinol?
The molecular formula of 6-(Fluoromethyl)-2-mercapto-4-pyrimidinol is C5H5FN2OS.
What is the molecular weight of 6-(Fluoromethyl)-2-mercapto-4-pyrimidinol?
The molecular weight of 6-(Fluoromethyl)-2-mercapto-4-pyrimidinol is 160.01 g/mol.
Where can I buy 6-(Fluoromethyl)-2-mercapto-4-pyrimidinol?
You can request a quote for 6-(Fluoromethyl)-2-mercapto-4-pyrimidinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Fluoromethyl)-2-mercapto-4-pyrimidinol?
Yes, KEHONG BIO provides custom synthesis services for 6-(Fluoromethyl)-2-mercapto-4-pyrimidinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.