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CAS No.: | 136401-70-2 |
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Name: | 5-(4-(2-(5-Ethylpyridin-2-yl)ethoxy)benzylidene)thiazolidine-2,4-dione |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C19H18 N2 O3 S |
Molecular Weight: | 354.43 |
Synonyms: | 2,4-Thiazolidinedione,5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylene]-, (E)- |
Density: | 1.301±0.06 g/cm3(Predicted) |
Melting Point: | 156-160 ºC |
PSA: | 93.59000 |
LogP: | 3.91820 |
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Molecular Structure of 5-(4-(2-(5-Ethylpyridin-2-yl)ethoxy)benzylidene)thiazolidine-2,4-dione (CAS NO.136401-70-2):
Empirical Formula: C19H18N2O3S
Molecular Weight: 354.42
CAS Registry Number: 136401-70-2
ACD/LogP: 2.76
of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 2.49
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 5.5): 39.42
ACD/BCF (pH 7.4): 45.01
ACD/KOC (pH 5.5): 403.69
ACD/KOC (pH 7.4): 460.89
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 6
Polar Surface Area: 93.59 Å2
Index of Refraction: 1.653
Molar Refractivity: 99.68 cm3
Molar Volume: 272.2 cm3
Surface Tension: 59.3 dyne/cm
Density: 1.301 g/cm3
Melting point: 156-160 ºC
5-(4-(2-(5-Ethylpyridin-2-yl)ethoxy)benzylidene)thiazolidine-2,4-dione , with CAS number of 136401-70-2, can be called 2,4-thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylene]- ; 5-{4-[2-(5-Ethylpyridin-2-yl)ethoxy]benzylidene}-1,3-thiazolidine-2,4-dione .