TL;DR: 6-[2-(2,4-dichlorophenyl)ethenyl]-2-ethylsulfanyl-4,4-dimethyl-1H-pyrimidine (CAS 1164553-16-5) is a chemical compound with molecular formula C16H18Cl2N2S and molecular weight 340.05676 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[2-(2,4-dichlorophenyl)ethenyl]-2-ethylsulfanyl-4,4-dimethyl-1H-pyrimidine
Also Known As: 6-[2-(2,4-dichlorophenyl)ethenyl]-2-ethylsulfanyl-4,4-dimethyl-1H-pyrimidine, 4-(2,4-dichlorostyryl)-2-(ethylsulfanyl)-6,6-dimethyl-1,6-dihydropyrimidine
| Molecular Formula | C16H18Cl2N2S |
| Molecular Weight | 340.05676 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.05676 Da |
| Heavy Atoms | 21 |
| Complexity | 457.0 |
| SMILES | CCSC1=NC(C=C(N1)C=CC2=C(C=C(C=C2)Cl)Cl)(C)C |
| InChIKey | HDYJHMYOCQATSE-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that 6-[2-(2,4-dichlorophenyl)ethenyl]-2-ethylsulfanyl-4,4-dimethyl-1H-pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, 6-[2-(2,4-dichlorophenyl)ethenyl]-2-ethylsulfanyl-4,4-dimethyl-1H-pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-[2-(2,4-dichlorophenyl)ethenyl]-2-ethylsulfanyl-4,4-dimethyl-1H-pyrimidine has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 6-[2-(2,4-dichlorophenyl)ethenyl]-2-ethylsulfanyl-4,4-dimethyl-1H-pyrimidine is 1164553-16-5.
The molecular formula of 6-[2-(2,4-dichlorophenyl)ethenyl]-2-ethylsulfanyl-4,4-dimethyl-1H-pyrimidine is C16H18Cl2N2S.
The molecular weight of 6-[2-(2,4-dichlorophenyl)ethenyl]-2-ethylsulfanyl-4,4-dimethyl-1H-pyrimidine is 340.05676 g/mol.
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