5-Fluoro-4-mercapto-2-hydroxypyrimidine
TL;DR: 5-Fluoro-4-mercapto-2-hydroxypyrimidine (CAS 671-41-0) is a chemical compound with molecular formula C4H3FN2OS and molecular weight 146.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-fluoro-4-sulfanylidene-1H-pyrimidin-2-one
Also Known As: 5-Fluoro-4-thiouracil, 5-fluoro-4-mercapto-2-hydroxypyrimidine, Sc1nc(O)ncc1F, 5-Fluoro-4-mercaptopyrimidin-2-ol, 5-fluoro-4-sulfanylidene-1H-pyrimidin-2-one
| Molecular Formula | C4H3FN2OS |
|---|---|
| Molecular Weight | 146.00 g/mol |
| LogP | 0.57159 |
| Topological Polar Surface Area | 48.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 145.99501 |
| Heavy Atoms | 9 |
| Complexity | 314.83395 |
Chemical Identifiers
| CAS Number | 671-41-0 |
|---|---|
| SMILES | C1=C(C(=S)NC(=O)N1)F |
Product Overview
5-Fluoro-4-mercapto-2-hydroxypyrimidine (CAS 671-41-0), with molecular formula C4H3FN2OS and molecular weight 146.00 g/mol. IUPAC: 5-fluoro-4-sulfanylidene-1H-pyrimidin-2-one.
Chemical Property Profile of 5-Fluoro-4-mercapto-2-hydroxypyrimidine
Property Insights of 5-Fluoro-4-mercapto-2-hydroxypyrimidine
The XLogP value of 0.57159 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Fluoro-4-mercapto-2-hydroxypyrimidine. With a topological polar surface area (TPSA) of 48.65 Ų, 5-Fluoro-4-mercapto-2-hydroxypyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Fluoro-4-mercapto-2-hydroxypyrimidine 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 5-Fluoro-4-mercapto-2-hydroxypyrimidine?
The CAS number of 5-Fluoro-4-mercapto-2-hydroxypyrimidine is 671-41-0.
What is the molecular formula of 5-Fluoro-4-mercapto-2-hydroxypyrimidine?
The molecular formula of 5-Fluoro-4-mercapto-2-hydroxypyrimidine is C4H3FN2OS.
What is the molecular weight of 5-Fluoro-4-mercapto-2-hydroxypyrimidine?
The molecular weight of 5-Fluoro-4-mercapto-2-hydroxypyrimidine is 146.00 g/mol.
Where can I buy 5-Fluoro-4-mercapto-2-hydroxypyrimidine?
You can request a quote for 5-Fluoro-4-mercapto-2-hydroxypyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Fluoro-4-mercapto-2-hydroxypyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 5-Fluoro-4-mercapto-2-hydroxypyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.