1H-Thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione,2-amino- (9CI)

The 1H-Thioxantheno[2, 1, 9-def]isoquinoline-1, 3(2H)-dione, 2-amino- (9CI), with the CAS registry number 52204-19-0, is also known as 2-Amino-1H-thioxantheno[2, 1, 9-def]isoquinoline-1, 3(2H)-dione. Its EINECS registry number is 257-733-6. This chemical's molecular formula is C₁₈H₁₀N₂O₂S and molecular weight is 318.3492. What's more, its IUPAC name is 2-Amino-1H-benzo[3, 4]isothiochromeno[7, 8, 1-def]isoquinoline-1, 3(2H)-dione.

Physical properties about 1H-Thioxantheno[2, 1, 9-def]isoquinoline-1, 3(2H)-dione, 2-amino- (9CI) are: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.78; (4)ACD/LogD (pH 7.4): 2.78; (5)ACD/BCF (pH 5.5): 76.78; (6)ACD/BCF (pH 7.4): 76.78; (7)ACD/KOC (pH 5.5): 778.19; (8)ACD/KOC (pH 7.4): 778.19; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 65.92 Å²; (13)Index of Refraction: 1.844; (14)Molar Refractivity: 90.13 cm³; (15)Molar Volume: 202.6 cm³; (16)Polarizability: 35.73×10^-24 cm³; (17)Surface Tension: 84.9 dyne/cm; (18)Density: 1.57 g/cm³; (19)Flash Point: 345.1 °C; (20)Enthalpy of Vaporization: 95.41 kJ/mol; (21)Boiling Point: 647 °C at 760 mmHg; (22)Vapour Pressure: 1.26E-16 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C4N(C(=O)c2ccc1c5ccccc5Sc3c1c2c4cc3)N
(2) InChI: InChI=1/C18H10N2O2S/c19-20-17(21)11-6-5-10-9-3-1-2-4-13(9)23-14-8-7-12(18(20)22)15(11)16(10)14/h1-8H,19H2
(3) InChIKey: BSICVDWEIBOGJV-UHFFFAOYAF