6-Methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
TL;DR: 6-Methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile (CAS 2228-22-0) is a chemical compound with molecular formula C6H5N3OS and molecular weight 167.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
Also Known As: 6-methyl-2-oxo-4-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, 6-methyl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carbonitrile, 6-methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile, 5-Pyrimidinecarbonitrile,1,2,3,4-tetrahydro-6-methyl-2-oxo-4-thioxo-, 6-Methyl-2-oxo-4-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
| Molecular Formula | C6H5N3OS |
|---|---|
| Molecular Weight | 167.02 g/mol |
| LogP | 0.61259 |
| Topological Polar Surface Area | 72.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 167.01534 |
| Heavy Atoms | 11 |
| Complexity | 422.67914 |
Chemical Identifiers
| CAS Number | 2228-22-0 |
|---|---|
| SMILES | CC1=C(C(=S)NC(=O)N1)C#N |
Product Overview
6-Methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile (CAS 2228-22-0), with molecular formula C6H5N3OS and molecular weight 167.02 g/mol. IUPAC: 6-methyl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carbonitrile.
Chemical Property Profile of 6-Methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
Property Insights of 6-Methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
The XLogP value of 0.61259 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile. The TPSA of 72.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 6-Methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile 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 6-Methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile?
The CAS number of 6-Methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile is 2228-22-0.
What is the molecular formula of 6-Methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile?
The molecular formula of 6-Methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile is C6H5N3OS.
What is the molecular weight of 6-Methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile?
The molecular weight of 6-Methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile is 167.02 g/mol.
Where can I buy 6-Methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile?
You can request a quote for 6-Methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.