TL;DR: o-Acetotoluidide, 6'-chloro-2-(2-(diethylamino)ethylthio)-, hydrochloride (CAS 102489-56-5) is a chemical compound with molecular formula C15H24Cl2N2OS and molecular weight 350.09863 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(2-chloro-6-methylanilino)-2-oxoethyl]sulfanylethyl-diethylazanium chloride
Also Known As: C 4926, 6'-Chloro-2-(2-(diethylamino)ethylthio)-o-acetotoluidide hydrochloride, o-ACETOTOLUIDIDE, 6'-CHLORO-2-(2-(DIETHYLAMINO)ETHYLTHIO)-, HYDROCHLORIDE, 2-[2-(2-Chloro-6-methylanilino)-2-oxoethyl]sulfanylethyl-diethylazaniumchloride, 2-[2-(2-chloro-6-methylanilino)-2-oxoethyl]sulfanylethyl-diethylazanium chloride
| Molecular Formula | C15H24Cl2N2OS |
| Molecular Weight | 350.09863 g/mol |
| XLogP | -0.75 |
| Topological Polar Surface Area (TPSA) | 58.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 350.09863 Da |
| Heavy Atoms | 21 |
| Complexity | 287.0 |
| SMILES | CC[NH+](CC)CCSCC(=O)NC1=C(C=CC=C1Cl)C.[Cl-] |
| InChIKey | VQFYHMLNRWLVTD-UHFFFAOYSA-N |
The XLogP value of -0.75 indicates that o-Acetotoluidide, 6'-chloro-2-(2-(diethylamino)ethylthio)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.8 Ų, o-Acetotoluidide, 6'-chloro-2-(2-(diethylamino)ethylthio)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Acetotoluidide, 6'-chloro-2-(2-(diethylamino)ethylthio)-, hydrochloride has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of o-Acetotoluidide, 6'-chloro-2-(2-(diethylamino)ethylthio)-, hydrochloride is 102489-56-5.
The molecular formula of o-Acetotoluidide, 6'-chloro-2-(2-(diethylamino)ethylthio)-, hydrochloride is C15H24Cl2N2OS.
The molecular weight of o-Acetotoluidide, 6'-chloro-2-(2-(diethylamino)ethylthio)-, hydrochloride is 350.09863 g/mol.
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