ChemSpider 2D Image | (2E)-[3-Methyl-4-oxo-5-(1-piperidinyl)-1,3-thiazolidin-2-ylidene]acetic acid | C11H16N2O3S

(2E)-[3-Methyl-4-oxo-5-(1-piperidinyl)-1,3-thiazolidin-2-ylidene]acetic acid

  • Molecular FormulaC11H16N2O3S
  • Average mass256.321 Da
  • Monoisotopic mass256.088165 Da
  • ChemSpider ID23253355
  • Double-bond stereo - Double-bond stereo


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2E)-[3-Methyl-4-oxo-5-(1-piperidinyl)-1,3-thiazolidin-2-yliden]essigsäure [German] [ACD/IUPAC Name]
(2E)-[3-Methyl-4-oxo-5-(1-piperidinyl)-1,3-thiazolidin-2-ylidene]acetic acid [ACD/IUPAC Name]
(2E)-[3-methyl-4-oxo-5-(piperidin-1-yl)-1,3-thiazolidin-2-ylidene]ethanoic acid
Acetic acid, 2-[3-methyl-4-oxo-5-(1-piperidinyl)-2-thiazolidinylidene]-, (2E)- [ACD/Index Name]
Acide (2E)-[3-méthyl-4-oxo-5-(1-pipéridinyl)-1,3-thiazolidin-2-ylidène]acétique [French] [ACD/IUPAC Name]
ACETIC ACID, [3-METHYL-4-OXO-5-(1-PIPERIDINYL)-2-THIAZOLIDINYLIDENE]-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 461.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±6.0 kJ/mol
Flash Point: 232.9±28.7 °C
Index of Refraction: 1.680
Molar Refractivity: 67.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): -1.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 86 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 74.9±3.0 dyne/cm
Molar Volume: 178.8±3.0 cm3

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