TL;DR: Quinoline, 2-chloro-4-[(1-methylethyl)thio]-3-phenyl- (CAS 160563-09-7) is a chemical compound with molecular formula C18H16ClNS and molecular weight 313.06918 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-3-phenyl-4-propan-2-ylsulfanylquinoline
Also Known As: Quinoline, 2-chloro-4-[(1-methylethyl)thio]-3-phenyl-, 2-chloro-3-phenyl-4-propan-2-ylsulfanylquinoline, 2-chloro-4-(isopropylsulfanyl)-3-phenylquinoline, AE-406/41056980, 2-Chloro-3-phenyl-4-[(propan-2-yl)sulfanyl]quinoline
| Molecular Formula | C18H16ClNS |
| Molecular Weight | 313.06918 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 38.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.06918 Da |
| Heavy Atoms | 21 |
| Complexity | 329.0 |
| SMILES | CC(C)SC1=C(C(=NC2=CC=CC=C21)Cl)C3=CC=CC=C3 |
| InChIKey | BUWJCXIJTNGPAK-UHFFFAOYSA-N |
The XLogP value of 6.1 indicates that Quinoline, 2-chloro-4-[(1-methylethyl)thio]-3-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.2 Ų, Quinoline, 2-chloro-4-[(1-methylethyl)thio]-3-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinoline, 2-chloro-4-[(1-methylethyl)thio]-3-phenyl- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Quinoline, 2-chloro-4-[(1-methylethyl)thio]-3-phenyl- is 160563-09-7.
The molecular formula of Quinoline, 2-chloro-4-[(1-methylethyl)thio]-3-phenyl- is C18H16ClNS.
The molecular weight of Quinoline, 2-chloro-4-[(1-methylethyl)thio]-3-phenyl- is 313.06918 g/mol.
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