TL;DR: Pyrimidine, 2-chloro-4,5-bis(4-methylphenyl)-6-(methylthio)- (CAS 651316-37-9) is a chemical compound with molecular formula C19H17ClN2S and molecular weight 340.0801 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-4,5-bis(4-methylphenyl)-6-methylsulfanylpyrimidine
Also Known As: Pyrimidine, 2-chloro-4,5-bis(4-methylphenyl)-6-(methylthio)-, 2-chloro-4,5-bis(4-methylphenyl)-6-methylsulfanyl-pyrimidine, 2-chloro-4,5-bis(4-methylphenyl)-6-methylsulfanylpyrimidine, Pyrimidine,2-chloro-4,5-bis(4-methylphenyl)-6-(methylthio), 2-CHLORO-4,5-BIS(4-METHYLPHENYL)-6-(METHYLSULFANYL)PYRIMIDINE
| Molecular Formula | C19H17ClN2S |
| Molecular Weight | 340.0801 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.0801 Da |
| Heavy Atoms | 23 |
| Complexity | 364.0 |
| SMILES | CC1=CC=C(C=C1)C2=C(N=C(N=C2SC)Cl)C3=CC=C(C=C3)C |
| InChIKey | AFGMYBISLNOICY-UHFFFAOYSA-N |
The XLogP value of 6.0 indicates that Pyrimidine, 2-chloro-4,5-bis(4-methylphenyl)-6-(methylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.1 Ų, Pyrimidine, 2-chloro-4,5-bis(4-methylphenyl)-6-(methylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrimidine, 2-chloro-4,5-bis(4-methylphenyl)-6-(methylthio)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Pyrimidine, 2-chloro-4,5-bis(4-methylphenyl)-6-(methylthio)- is 651316-37-9.
The molecular formula of Pyrimidine, 2-chloro-4,5-bis(4-methylphenyl)-6-(methylthio)- is C19H17ClN2S.
The molecular weight of Pyrimidine, 2-chloro-4,5-bis(4-methylphenyl)-6-(methylthio)- is 340.0801 g/mol.
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