4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbonitrile
TL;DR: 4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbonitrile (CAS 1004-75-7) is a chemical compound with molecular formula C6H3Cl2N3S and molecular weight 218.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dichloro-2-methylsulfanylpyrimidine-5-carbonitrile
Also Known As: 4,6-Dichloro-2-(methylthio)pyrimidine-5-carbonitrile, null, 5-Cyano-4,6-dichloro-2-(methylthio)pyrimidine, 4,6-dichloro-2-(methylsulfanyl)pyrimidine-5-carbonitrile, 4,6-dichloro-2-methylsulfanylpyrimidine-5-carbonitrile
| Molecular Formula | C6H3Cl2N3S |
|---|---|
| Molecular Weight | 218.94 g/mol |
| LogP | 2.37698 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.94247 |
| Heavy Atoms | 12 |
| Complexity | 324.1318 |
Chemical Identifiers
| CAS Number | 1004-75-7 |
|---|---|
| SMILES | CSC1=NC(=C(C(=N1)Cl)C#N)Cl |
Product Overview
4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbonitrile (CAS 1004-75-7), with molecular formula C6H3Cl2N3S and molecular weight 218.94 g/mol. IUPAC: 4,6-dichloro-2-methylsulfanylpyrimidine-5-carbonitrile.
Chemical Property Profile of 4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Property Insights of 4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbonitrile
The XLogP value of 2.37698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbonitrile. With a topological polar surface area (TPSA) of 49.57 Ų, 4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Dichloro-2-(methylsulfanyl)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
Frequently Asked Questions
What is the CAS number of 4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbonitrile?
The CAS number of 4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbonitrile is 1004-75-7.
What is the molecular formula of 4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbonitrile?
The molecular formula of 4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbonitrile is C6H3Cl2N3S.
What is the molecular weight of 4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbonitrile?
The molecular weight of 4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbonitrile is 218.94 g/mol.
Where can I buy 4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbonitrile?
You can request a quote for 4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.