1,3-Dimethyl-4-thiouracil
TL;DR: 1,3-Dimethyl-4-thiouracil (CAS 5448-50-0) is a chemical compound with molecular formula C6H8N2OS and molecular weight 156.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-4-sulfanylidenepyrimidin-2-one
Also Known As: 1,3-Dimethyl-4-thiouracil, 1,3-DM-4-TU, 1,3-dimethyl-4-sulfanylidenepyrimidin-2-one, 1,3-DIMETHYL-4-SULFANYLIDENE-PYRIMIDIN-2-ONE, 1,3-dimethyl-4-thioxo-3,4-dihydropyrimidin-2(1H)-one
| Molecular Formula | C6H8N2OS |
|---|---|
| Molecular Weight | 156.04 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 55.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 156.03574 |
| Heavy Atoms | 10 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 5448-50-0 |
|---|---|
| SMILES | CN1C=CC(=S)N(C1=O)C |
| InChIKey | PMKLUUOSOUESOS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dimethyl-4-thiouracil (CAS 5448-50-0), with molecular formula C6H8N2OS and molecular weight 156.04 g/mol. IUPAC: 1,3-dimethyl-4-sulfanylidenepyrimidin-2-one.
Chemical Property Profile of 1,3-Dimethyl-4-thiouracil
Property Insights of 1,3-Dimethyl-4-thiouracil
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl-4-thiouracil. With a topological polar surface area (TPSA) of 55.6 Ų, 1,3-Dimethyl-4-thiouracil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethyl-4-thiouracil has 0 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 1,3-Dimethyl-4-thiouracil?
The CAS number of 1,3-Dimethyl-4-thiouracil is 5448-50-0.
What is the molecular formula of 1,3-Dimethyl-4-thiouracil?
The molecular formula of 1,3-Dimethyl-4-thiouracil is C6H8N2OS.
What is the molecular weight of 1,3-Dimethyl-4-thiouracil?
The molecular weight of 1,3-Dimethyl-4-thiouracil is 156.04 g/mol.
Where can I buy 1,3-Dimethyl-4-thiouracil?
You can request a quote for 1,3-Dimethyl-4-thiouracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-4-thiouracil?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-4-thiouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.