2-(((4-(4-chlorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-4,6-dimethylpyrimidine
TL;DR: 2-(((4-(4-chlorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-4,6-dimethylpyrimidine (CAS 868222-50-8) is a chemical compound with molecular formula C16H16ClN5S2 and molecular weight 377.05356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethylpyrimidine
Also Known As: 2-(((4-(4-chlorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-4,6-dimethylpyrimidine, F1806-0183, 2-({[4-(4-chlorophenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}sulfanyl)-4,6-dimethylpyrimidine, 2-[[4-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethylpyrimidine
Technical Specifications
| Molecular Formula | C16H16ClN5S2 |
| Molecular Weight | 377.05356 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.05356 Da |
| Heavy Atoms | 24 |
| Complexity | 387.0 |
| SMILES | CC1=CC(=NC(=N1)SCC2=NN=C(N2C3=CC=C(C=C3)Cl)SC)C |
| InChIKey | RHTXYGHHXUWMKC-UHFFFAOYSA-N |
Chemical Property Profile of 2-(((4-(4-chlorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-4,6-dimethylpyrimidine
Property Insights of 2-(((4-(4-chlorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-4,6-dimethylpyrimidine
The XLogP value of 4.0 indicates that 2-(((4-(4-chlorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-4,6-dimethylpyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(((4-(4-chlorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-4,6-dimethylpyrimidine. Following Lipinski's Rule of Five, 2-(((4-(4-chlorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-4,6-dimethylpyrimidine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(((4-(4-chlorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-4,6-dimethylpyrimidine?
The CAS number of 2-(((4-(4-chlorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-4,6-dimethylpyrimidine is 868222-50-8.
What is the molecular formula of 2-(((4-(4-chlorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-4,6-dimethylpyrimidine?
The molecular formula of 2-(((4-(4-chlorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-4,6-dimethylpyrimidine is C16H16ClN5S2.
What is the molecular weight of 2-(((4-(4-chlorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-4,6-dimethylpyrimidine?
The molecular weight of 2-(((4-(4-chlorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-4,6-dimethylpyrimidine is 377.05356 g/mol.
Where can I buy 2-(((4-(4-chlorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-4,6-dimethylpyrimidine?
You can request a quote for 2-(((4-(4-chlorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-4,6-dimethylpyrimidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(((4-(4-chlorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-4,6-dimethylpyrimidine?
Yes, CoreyChem provides custom synthesis services for 2-(((4-(4-chlorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-4,6-dimethylpyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.