5-methyl-4-thioxo-3,4-dihydropyrimidin-2(1H)-one
TL;DR: 5-methyl-4-thioxo-3,4-dihydropyrimidin-2(1H)-one (CAS 35455-79-9) is a chemical compound with molecular formula C5H6N2OS and molecular weight 142.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-sulfanylidene-1H-pyrimidin-2-one
Also Known As: 4-thiothymine, 5-methyl-4-thioxo-3,4-dihydropyrimidin-2(1H)-one, 5-methyl-4-thiouracil, 5-methyl-4-thioxo-1H-pyrimidin-2-one, 2-Hydroxy-4-mercapto-5-methylpyrimidine
| Molecular Formula | C5H6N2OS |
|---|---|
| Molecular Weight | 142.02 g/mol |
| LogP | 0.74091 |
| Topological Polar Surface Area | 48.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.02008 |
| Heavy Atoms | 9 |
| Complexity | 311.2243 |
Chemical Identifiers
| CAS Number | 35455-79-9 |
|---|---|
| SMILES | CC1=CNC(=O)NC1=S |
Product Overview
5-methyl-4-thioxo-3,4-dihydropyrimidin-2(1H)-one (CAS 35455-79-9), with molecular formula C5H6N2OS and molecular weight 142.02 g/mol. IUPAC: 5-methyl-4-sulfanylidene-1H-pyrimidin-2-one.
Chemical Property Profile of 5-methyl-4-thioxo-3,4-dihydropyrimidin-2(1H)-one
Property Insights of 5-methyl-4-thioxo-3,4-dihydropyrimidin-2(1H)-one
The XLogP value of 0.74091 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-4-thioxo-3,4-dihydropyrimidin-2(1H)-one. With a topological polar surface area (TPSA) of 48.65 Ų, 5-methyl-4-thioxo-3,4-dihydropyrimidin-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-methyl-4-thioxo-3,4-dihydropyrimidin-2(1H)-one 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-methyl-4-thioxo-3,4-dihydropyrimidin-2(1H)-one?
The CAS number of 5-methyl-4-thioxo-3,4-dihydropyrimidin-2(1H)-one is 35455-79-9.
What is the molecular formula of 5-methyl-4-thioxo-3,4-dihydropyrimidin-2(1H)-one?
The molecular formula of 5-methyl-4-thioxo-3,4-dihydropyrimidin-2(1H)-one is C5H6N2OS.
What is the molecular weight of 5-methyl-4-thioxo-3,4-dihydropyrimidin-2(1H)-one?
The molecular weight of 5-methyl-4-thioxo-3,4-dihydropyrimidin-2(1H)-one is 142.02 g/mol.
Where can I buy 5-methyl-4-thioxo-3,4-dihydropyrimidin-2(1H)-one?
You can request a quote for 5-methyl-4-thioxo-3,4-dihydropyrimidin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-methyl-4-thioxo-3,4-dihydropyrimidin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-4-thioxo-3,4-dihydropyrimidin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.