5-Mercaptouracil
TL;DR: 5-Mercaptouracil (CAS 16508-41-1) is a chemical compound with molecular formula C4H4N2O2S and molecular weight 144.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-sulfanyl-1H-pyrimidine-2,4-dione
Also Known As: 5-Mercaptouracil, 5-Thiouracil, 5-Thioisobarbituric acid, 5-mercapto uracil, Isobarbituric acid, 5-thio-
| Molecular Formula | C4H4N2O2S |
|---|---|
| Molecular Weight | 144.00 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 59.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 143.99934 |
| Heavy Atoms | 9 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 16508-41-1 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1)S |
| InChIKey | MIHCRNZMESVPJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Mercaptouracil (CAS 16508-41-1), with molecular formula C4H4N2O2S and molecular weight 144.00 g/mol. IUPAC: 5-sulfanyl-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-Mercaptouracil
Property Insights of 5-Mercaptouracil
The XLogP value of -0.6 indicates that 5-Mercaptouracil is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.2 Ų, 5-Mercaptouracil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Mercaptouracil 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-Mercaptouracil?
The CAS number of 5-Mercaptouracil is 16508-41-1.
What is the molecular formula of 5-Mercaptouracil?
The molecular formula of 5-Mercaptouracil is C4H4N2O2S.
What is the molecular weight of 5-Mercaptouracil?
The molecular weight of 5-Mercaptouracil is 144.00 g/mol.
Where can I buy 5-Mercaptouracil?
You can request a quote for 5-Mercaptouracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Mercaptouracil?
Yes, KEHONG BIO provides custom synthesis services for 5-Mercaptouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.