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Name
5-(4-(2-(5-Ethylpyridin-2-yl)ethoxy)benzylidene)thiazolidine-2,4-dione
- EINECS 145-896-5
- CAS No. 627502-58-3
- Density 1.302 g/cm3
- Solubility
- Melting Point 156-160 °C
- Formula C19H18N2O3S
- Boiling Point
- Molecular Weight 354.42
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 2-Amino-5-{4-[2-(5-ethyl-pyridin-2-yl)-ethoxy-benzyl}-thiazol-4-one;2-Amino-5-{4- 2-(5-ethyl-pyridin-2-yl)-ethoxy -benzyl}-thiazol-4-one;2-Amino-5-{4-[2-(5-ethyl-pyridin-2-yl)-ethoxy]-benzyl}-thiazol-4-one;
- PSA 93.59000
- LogP 3.91820
5-[[4-[2-(5-Ethyl-2-pyridinyl)ethoxy]benzylidene]-2,4-thiazolidinedione Specification
The 5-[[4-[2-(5-Ethyl-2-pyridinyl)ethoxy]benzylidene]-2,4-thiazolidinedione, with the CAS registry number 627502-58-3, is also known as 2-Amino-5-{4-[2-(5-ethyl-pyridin-2-yl)-ethoxy-benzyl}-thiazol-4-one. This chemical's molecular formula is C19H18N2O3S and molecular weight is 354.42. What's more, its systematic is the same with its product name.
Physical properties about 5-[[4-[2-(5-Ethyl-2-pyridinyl)ethoxy]benzylidene]-2,4-thiazolidinedione are: (1)ACD/LogP: 2.763; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.49; (4)ACD/LogD (pH 7.4): 2.55; (5)ACD/BCF (pH 5.5): 39.42; (6)ACD/BCF (pH 7.4): 45.01; (7)ACD/KOC (pH 5.5): 403.69; (8)ACD/KOC (pH 7.4): 460.89; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 93.59 Å2; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 99.689 cm3; (15)Molar Volume: 272.259 cm3; (16)Polarizability: 39.52×10-24 cm3; (17)Surface Tension: 59.36 dyne/cm; (18)Density: 1.302 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1C(\SC(=O)N1)=C\c3ccc(OCCc2ncc(cc2)CC)cc3
(2) InChI: InChI=1S/C19H18N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,11-12H,2,9-10H2,1H3,(H,21,22,23)/b17-11-
(3) InChIKey: YNTUJOCADSTMCL-BOPFTXTBSA-N
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