4-Iodo-2-(methylthio)pyrimidine
TL;DR: 4-Iodo-2-(methylthio)pyrimidine (CAS 1122-74-3) is a chemical compound with molecular formula C5H5IN2S and molecular weight 251.92181 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-iodo-2-methylsulfanylpyrimidine
Also Known As: 4-Iodo-2-(methylthio)pyrimidine, 4-iodo-2-methylsulfanylpyrimidine, 4-iodo-2-(methylsulfanyl)pyrimidine, 4-lodo-2-(methylthio)pyrimidine, 4-iodo-2-methylsulfanyl-pyrimidine
Technical Specifications
| Molecular Formula | C5H5IN2S |
| Molecular Weight | 251.92181 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.92181 Da |
| Heavy Atoms | 9 |
| Complexity | 91.0 |
| SMILES | CSC1=NC=CC(=N1)I |
| InChIKey | SECBGKYJKCNDID-UHFFFAOYSA-N |
Chemical Property Profile of 4-Iodo-2-(methylthio)pyrimidine
Property Insights of 4-Iodo-2-(methylthio)pyrimidine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Iodo-2-(methylthio)pyrimidine. With a topological polar surface area (TPSA) of 51.1 Ų, 4-Iodo-2-(methylthio)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Iodo-2-(methylthio)pyrimidine has 0 hydrogen bond donor(s) and 3 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-Iodo-2-(methylthio)pyrimidine?
The CAS number of 4-Iodo-2-(methylthio)pyrimidine is 1122-74-3.
What is the molecular formula of 4-Iodo-2-(methylthio)pyrimidine?
The molecular formula of 4-Iodo-2-(methylthio)pyrimidine is C5H5IN2S.
What is the molecular weight of 4-Iodo-2-(methylthio)pyrimidine?
The molecular weight of 4-Iodo-2-(methylthio)pyrimidine is 251.92181 g/mol.
Where can I buy 4-Iodo-2-(methylthio)pyrimidine?
You can request a quote for 4-Iodo-2-(methylthio)pyrimidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Iodo-2-(methylthio)pyrimidine?
Yes, CoreyChem provides custom synthesis services for 4-Iodo-2-(methylthio)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.