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CAS No.: | 105355-26-8 |
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Name: | 5-{4-[2-(5-Ethyl-2-pyridyl)ethoxy]benzyl}-2-imino-4-thiazolidinone |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C19H21N3O2S |
Molecular Weight: | 355.461 |
Synonyms: | Pioglitazone 2-imine; |
EINECS: | 600-649-5 |
Density: | 1.28 g/cm3 |
Melting Point: | 187-188 °C |
Boiling Point: | 557.4 °C at 760 mmHg |
Flash Point: | 290.9 °C |
PSA: | 102.87000 |
LogP: | 2.90060 |
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The 5-{4-[2-(5-Ethyl-2-pyridyl)ethoxy]benzyl}-2-imino-4-thiazolidinone is an organic compound with the formula C19H21N3O2S. The systematic name of this chemical is 2-amino-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazol-4(5H)-one. With the CAS registry number 105355-26-8, it is also named as 2-Amino-5-{4-[2-(5-ethyl-pyridin-2-yl)-ethoxy]-. The product's categories are Pharmaceutical Intermediates; API Intermediates; Intermediate of Pioglitazone.
Physical properties about 5-{4-[2-(5-Ethyl-2-pyridyl)ethoxy]benzyl}-2-imino-4-thiazolidinone are: (1)ACD/LogP: 2.57; (2)ACD/LogD (pH 5.5): 2.25; (3)ACD/LogD (pH 7.4): 2.56; (4)ACD/BCF (pH 5.5): 25.51; (5)ACD/BCF (pH 7.4): 51.85; (6)ACD/KOC (pH 5.5): 288.02; (7)ACD/KOC (pH 7.4): 585.32; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 80.09 Å2; (12)Index of Refraction: 1.646; (13)Molar Refractivity: 100.35 cm3; (14)Molar Volume: 276.4 cm3; (15)Polarizability: 39.78×10-24cm3; (16)Surface Tension: 50.5 dyne/cm; (17)Density: 1.28 g/cm3; (18)Flash Point: 290.9 °C; (19)Enthalpy of Vaporization: 83.93 kJ/mol; (20)Boiling Point: 557.4 °C at 760 mmHg; (21)Vapour Pressure: 1.84E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1\N=C(/SC1Cc3ccc(OCCc2ncc(cc2)CC)cc3)N
(2)InChI: InChI=1/C19H21N3O2S/c1-2-13-3-6-15(21-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(23)22-19(20)25-17/h3-8,12,17H,2,9-11H2,1H3,(H2,20,22,23)
(3)InChIKey: ABGJULHDDNEULW-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C19H21N3O2S/c1-2-13-3-6-15(21-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(23)22-19(20)25-17/h3-8,12,17H,2,9-11H2,1H3,(H2,20,22,23)
(5)Std. InChIKey: ABGJULHDDNEULW-UHFFFAOYSA-N