TL;DR: 2-[1-[(2-chlorophenyl)methyl]-2-methyl-5-methylsulfanylindol-3-yl]ethylazanium;chloride (CAS 1071544-43-8) is a chemical compound with molecular formula C19H22Cl2N2S and molecular weight 380.08807 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-[(2-chlorophenyl)methyl]-2-methyl-5-methylsulfanylindol-3-yl]ethylazanium chloride
Also Known As: 2-[1-[(2-chlorophenyl)methyl]-2-methyl-5-methylsulfanylindol-3-yl]ethylazanium;chloride, 2-[1-[(2-chlorophenyl)methyl]-2-methyl-5-methylsulfanylindol-3-yl]ethylazanium chloride
| Molecular Formula | C19H22Cl2N2S |
| Molecular Weight | 380.08807 g/mol |
| XLogP | 1.16172 |
| Topological Polar Surface Area (TPSA) | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.08807 Da |
| Heavy Atoms | 24 |
| Complexity | 380.0 |
| SMILES | CC1=C(C2=C(N1CC3=CC=CC=C3Cl)C=CC(=C2)SC)CC[NH3+].[Cl-] |
| InChIKey | IORPXUDDKDSURS-UHFFFAOYSA-N |
The XLogP value of 1.16172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[1-[(2-chlorophenyl)methyl]-2-methyl-5-methylsulfanylindol-3-yl]ethylazanium;chloride. With a topological polar surface area (TPSA) of 57.9 Ų, 2-[1-[(2-chlorophenyl)methyl]-2-methyl-5-methylsulfanylindol-3-yl]ethylazanium;chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[1-[(2-chlorophenyl)methyl]-2-methyl-5-methylsulfanylindol-3-yl]ethylazanium;chloride has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[1-[(2-chlorophenyl)methyl]-2-methyl-5-methylsulfanylindol-3-yl]ethylazanium;chloride is 1071544-43-8.
The molecular formula of 2-[1-[(2-chlorophenyl)methyl]-2-methyl-5-methylsulfanylindol-3-yl]ethylazanium;chloride is C19H22Cl2N2S.
The molecular weight of 2-[1-[(2-chlorophenyl)methyl]-2-methyl-5-methylsulfanylindol-3-yl]ethylazanium;chloride is 380.08807 g/mol.
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