4-Chloro-2-methyl-6-(methylthio)pyrimidine-5-carbonitrile
TL;DR: 4-Chloro-2-methyl-6-(methylthio)pyrimidine-5-carbonitrile (CAS 112969-42-3) is a chemical compound with molecular formula C7H6ClN3S and molecular weight 198.9971 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile
Also Known As: 4-Chloro-2-methyl-6-(methylthio)pyrimidine-5-carbonitrile, 4-Chloro-5-cyano-2-methyl-6-(methylthio)pyrimidine, 8980AC, 4-chloro-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile, 5-Pyrimidinecarbonitrile,4-chloro-2-methyl-6-(methylthio)-
Technical Specifications
| Molecular Formula | C7H6ClN3S |
| Molecular Weight | 198.9971 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 74.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.9971 Da |
| Heavy Atoms | 12 |
| Complexity | 202.0 |
| SMILES | CC1=NC(=C(C(=N1)Cl)C#N)SC |
| InChIKey | FCAZUZBAZMYJPW-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloro-2-methyl-6-(methylthio)pyrimidine-5-carbonitrile
Property Insights of 4-Chloro-2-methyl-6-(methylthio)pyrimidine-5-carbonitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-methyl-6-(methylthio)pyrimidine-5-carbonitrile. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-2-methyl-6-(methylthio)pyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 4-Chloro-2-methyl-6-(methylthio)pyrimidine-5-carbonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Chloro-2-methyl-6-(methylthio)pyrimidine-5-carbonitrile?
The CAS number of 4-Chloro-2-methyl-6-(methylthio)pyrimidine-5-carbonitrile is 112969-42-3.
What is the molecular formula of 4-Chloro-2-methyl-6-(methylthio)pyrimidine-5-carbonitrile?
The molecular formula of 4-Chloro-2-methyl-6-(methylthio)pyrimidine-5-carbonitrile is C7H6ClN3S.
What is the molecular weight of 4-Chloro-2-methyl-6-(methylthio)pyrimidine-5-carbonitrile?
The molecular weight of 4-Chloro-2-methyl-6-(methylthio)pyrimidine-5-carbonitrile is 198.9971 g/mol.
Where can I buy 4-Chloro-2-methyl-6-(methylthio)pyrimidine-5-carbonitrile?
You can request a quote for 4-Chloro-2-methyl-6-(methylthio)pyrimidine-5-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-2-methyl-6-(methylthio)pyrimidine-5-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-2-methyl-6-(methylthio)pyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.