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Name |
KU-55933 |
EINECS | N/A |
CAS No. | 587871-26-9 | Density | 1.419 g/cm3 |
PSA | 93.28000 | LogP | 4.82420 |
Solubility | N/A | Melting Point |
N/A |
Formula | C21H17NO3S2 | Boiling Point | 628 °C at 760 mmHg |
Molecular Weight | 395.503 | Flash Point | 333.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4H-Pyran-4-one, 2-(4-morpholinyl)-6-(1-thianthrenyl)-;2-Morpholino-6-(thianthren-1-yl)-4H-pyran-4-one;KU-55933; |
Article Data | 2 |
The KU-55933, with the CAS registry number 587871-26-9, is also known as 4H-Pyran-4-one, 2-(4-morpholinyl)-6-(1-thianthrenyl)-. This chemical's molecular formula is C21H17NO3S2 and molecular weight is 395.49. What's more, its systematic name is 2-morpholin-4-yl-6-thianthren-1-yl-4H-pyran-4-one.
Physical properties of KU-55933 are: (1)ACD/LogP: 6.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.13; (4)ACD/LogD (pH 7.4): 6.13; (5)ACD/BCF (pH 5.5): 26889.34; (6)ACD/BCF (pH 7.4): 26889.52; (7)ACD/KOC (pH 5.5): 51555.79; (8)ACD/KOC (pH 7.4): 51556.13; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 89.37 Å2; (13)Index of Refraction: 1.714; (14)Molar Refractivity: 109.35 cm3; (15)Molar Volume: 278.5 cm3; (16)Polarizability: 43.35×10-24cm3; (17)Surface Tension: 64.3 dyne/cm; (18)Density: 1.419 g/cm3; (19)Flash Point: 333.6 °C; (20)Enthalpy of Vaporization: 92.93 kJ/mol; (21)Boiling Point: 628 °C at 760 mmHg; (22)Vapour Pressure: 1.1E-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C\2\C=C(/O/C(N1CCOCC1)=C/2)c4c3Sc5c(Sc3ccc4)cccc5
(2)Std. InChI: InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2
(3)Std. InChIKey: XRKYMMUGXMWDAO-UHFFFAOYSA-N