Methylmercaptouracil
TL;DR: Methylmercaptouracil (CAS 16350-59-7) is a chemical compound with molecular formula C5H6N2O2S and molecular weight 158.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylsulfanyl-1H-pyrimidine-2,4-dione
Also Known As: Methylmercaptouracil, 5-methylthiouracil, Uracil, 5-(methylthio)-, 5-mercaptomethyl-uracil, 5-(METHYLTHIO)URACIL
| Molecular Formula | C5H6N2O2S |
|---|---|
| Molecular Weight | 158.01 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.015 |
| Heavy Atoms | 10 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 16350-59-7 |
|---|---|
| SMILES | CSC1=CNC(=O)NC1=O |
| InChIKey | HIDROJVLHKPMPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methylmercaptouracil (CAS 16350-59-7), with molecular formula C5H6N2O2S and molecular weight 158.01 g/mol. IUPAC: 5-methylsulfanyl-1H-pyrimidine-2,4-dione.
Chemical Property Profile of Methylmercaptouracil
Property Insights of Methylmercaptouracil
The XLogP value of -0.3 indicates that Methylmercaptouracil is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylmercaptouracil. Following Lipinski's Rule of Five, Methylmercaptouracil has 2 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 Methylmercaptouracil?
The CAS number of Methylmercaptouracil is 16350-59-7.
What is the molecular formula of Methylmercaptouracil?
The molecular formula of Methylmercaptouracil is C5H6N2O2S.
What is the molecular weight of Methylmercaptouracil?
The molecular weight of Methylmercaptouracil is 158.01 g/mol.
Where can I buy Methylmercaptouracil?
You can request a quote for Methylmercaptouracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylmercaptouracil?
Yes, KEHONG BIO provides custom synthesis services for Methylmercaptouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.