5-Methylthiomethyluracil
TL;DR: 5-Methylthiomethyluracil (CAS 4874-40-2) is a chemical compound with molecular formula C6H8N2O2S and molecular weight 172.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(methylsulfanylmethyl)-1H-pyrimidine-2,4-dione
Also Known As: 5-Methylthiomethyluracil, 5-(methylsulfanylmethyl)-1H-pyrimidine-2,4-dione, 5-methylsulfanylmethyl-1h-pyrimidine-2,4-dione, 5-[(Methylsulfanyl)methyl]pyrimidine-2,4(1H,3H)-dione, RefChem:304328
| Molecular Formula | C6H8N2O2S |
|---|---|
| Molecular Weight | 172.03 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.03065 |
| Heavy Atoms | 11 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 4874-40-2 |
|---|---|
| SMILES | CSCC1=CNC(=O)NC1=O |
| InChIKey | YLMMYIIRADIZJQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methylthiomethyluracil (CAS 4874-40-2), with molecular formula C6H8N2O2S and molecular weight 172.03 g/mol. IUPAC: 5-(methylsulfanylmethyl)-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-Methylthiomethyluracil
Property Insights of 5-Methylthiomethyluracil
The XLogP value of -1.2 indicates that 5-Methylthiomethyluracil 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 5-Methylthiomethyluracil. Following Lipinski's Rule of Five, 5-Methylthiomethyluracil 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 5-Methylthiomethyluracil?
The CAS number of 5-Methylthiomethyluracil is 4874-40-2.
What is the molecular formula of 5-Methylthiomethyluracil?
The molecular formula of 5-Methylthiomethyluracil is C6H8N2O2S.
What is the molecular weight of 5-Methylthiomethyluracil?
The molecular weight of 5-Methylthiomethyluracil is 172.03 g/mol.
Where can I buy 5-Methylthiomethyluracil?
You can request a quote for 5-Methylthiomethyluracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methylthiomethyluracil?
Yes, KEHONG BIO provides custom synthesis services for 5-Methylthiomethyluracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.