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CAS No.: | 146062-45-5 |
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Name: | 5-[[4-[2-(5-ACETYL-2-PYRIDINYL)ETHOXY]PHENYL]METHYL]-2,4THIAZOLIDINEDIONE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C19H18N2O4S |
Molecular Weight: | 370.429 |
Synonyms: | 5-{4-[2-(5-Acetyl-pyridin-2-yl)-ethoxy]-benzyl}-thiazolidine-2,4-dione; |
Density: | 1.315 g/cm3 |
Melting Point: | 113-115 °C |
Boiling Point: | 623.8 °C at 760 mmHg |
Flash Point: | 331.1 °C |
PSA: | 110.66000 |
LogP: | 3.12860 |
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The CAS registry number of 2,4-Thiazolidinedione,5-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]- is 146062-45-5. The IUPAC name is 5-{4-[2-(5-acetylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione. In addition, the molecular formula is C19H18N2O4S and the molecular weight is 370.42. What's more, it is a kind of white solid and belongs to the classes of Various Metabolites and Impurities; Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals. And it should be stored in a cool and dry place.
Physical properties about 2,4-Thiazolidinedione,5-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]- are: (1)ACD/LogP: 1.69; (2)ACD/LogD (pH 5.5): 1.63; (3)ACD/LogD (pH 7.4): 0.65; (4)ACD/BCF (pH 5.5): 9.9; (5)ACD/BCF (pH 7.4): 1.03; (6)ACD/KOC (pH 5.5): 172.67; (7)ACD/KOC (pH 7.4): 17.91; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 101.87 Å2; (12)Index of Refraction: 1.618; (13)Molar Refractivity: 98.69 cm3; (14)Molar Volume: 281.4 cm3; (15)Polarizability: 39.12 ×10-24cm3; (16)Surface Tension: 57.4 dyne/cm; (17)Density: 1.315 g/cm3; (18)Flash Point: 331.1 °C; (19)Enthalpy of Vaporization: 92.39 kJ/mol; (20)Boiling Point: 623.8 °C at 760 mmHg; (21)Vapour Pressure: 1.75E-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1NC(=O)SC1Cc3ccc(OCCc2ncc(C(=O)C)cc2)cc3
(2)InChI: InChI=1/C19H18N2O4S/c1-12(22)14-4-5-15(20-11-14)8-9-25-16-6-2-13(3-7-16)10-17-18(23)21-19(24)26-17/h2-7,11,17H,8-10H2,1H3,(H,21,23,24)
(3)InChIKey: JMLKLMFMQRAJNI-UHFFFAOYAG