2-(2-methylacridin-9-yl)sulfanyl-1-phenyl-ethanone

The Ethanone,2-[(2-methyl-9-acridinyl)thio]-1-phenyl-, with the CAS registry number 134826-36-1, is also known as 2-((2-Methyl-9-acridinyl)thio)-1-phenylethanone. This chemical's molecular formula is C₂₂H₁₇NOS and molecular weight is 343.44. What's more, its systematic name is 2-(2-methylacridin-9-yl)sulfanyl-1-phenylethanone. Its classification code is Drug / Therapeutic Agent.

Physical properties of Ethanone,2-[(2-methyl-9-acridinyl)thio]-1-phenyl- are: (1)ACD/LogP: 5.42; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.25; (4)ACD/LogD (pH 7.4): 5.42; (5)ACD/BCF (pH 5.5): 5226.63; (6)ACD/BCF (pH 7.4): 7757.5; (7)ACD/KOC (pH 5.5): 14242.57; (8)ACD/KOC (pH 7.4): 21139.15; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.26 Å²; (13)Index of Refraction: 1.718; (14)Molar Refractivity: 106.38 cm³; (15)Molar Volume: 269.6 cm³; (16)Polarizability: 42.17×10^-24cm³; (17)Surface Tension: 62.6 dyne/cm; (18)Density: 1.27 g/cm³; (19)Flash Point: 293 °C; (20)Enthalpy of Vaporization: 84.36 kJ/mol; (21)Boiling Point: 560.9 °C at 760 mmHg; (22)Vapour Pressure: 1.31E-12 mmHg at 25°C.

Preparation of Ethanone,2-[(2-methyl-9-acridinyl)thio]-1-phenyl-: this chemical can be prepared by 2-methyl-acridine-9-thiol and 2-bromo-1-phenyl-ethanone by heating. This reaction will need reagent aq. NaOH and solvent acetone with the reaction time of 7 min. The yield is about 68%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC2=C(C3=CC=CC=C3N=C2C=C1)SCC(=O)C4=CC=CC=C4
(2)InChI: InChI=1S/C22H17NOS/c1-15-11-12-20-18(13-15)22(17-9-5-6-10-19(17)23-20)25-14-21(24)16-7-3-2-4-8-16/h2-13H,14H2,1H3
(3)InChIKey: HHWGQVOMQSRJLE-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	110mg/kg (110mg/kg)		Pharmaceutical Chemistry Journal Vol. 25, Pg. 240, 1991.