ChemSpider 2D Image | N-[(2Z,3aS,6aS)-3-(2-Ethylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2,2-dimethylpropanamide | C18H24N2O3S2

N-[(2Z,3aS,6aS)-3-(2-Ethylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2,2-dimethylpropanamide

  • Molecular FormulaC18H24N2O3S2
  • Average mass380.525 Da
  • Monoisotopic mass380.122833 Da
  • ChemSpider ID23015113

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

N-[(2Z,3aS,6aS)-3-(2-Ethylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-yliden]-2,2-dimethylpropanamid [German] [ACD/IUPAC Name]
N-[(2Z,3aS,6aS)-3-(2-Ethylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2,2-dimethylpropanamide [ACD/IUPAC Name]
N-[(2Z,3aS,6aS)-3-(2-Éthylphényl)-5,5-dioxydotétrahydrothiéno[3,4-d][1,3]thiazol-2(3H)-ylidène]-2,2-diméthylpropanamide [French] [ACD/IUPAC Name]
Propanamide, N-[(2Z,3aS,6aS)-3-(2-ethylphenyl)tetrahydro-5,5-dioxidothieno[3,4-d]thiazol-2(3H)-ylidene]-2,2-dimethyl- [ACD/Index Name]
(3aS,6aS)-5-(3,3-dimethyl-2-oxo-1-azabutylidene)-4-(2-ethylphenyl)-1,3,4,6,3a,6a-hexahydro-2,6-dithia-4-azapentalene-2,2-dione
(Z)-N-((3aS,6aS)-3-(2-ethylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)pivalamide
1177470-28-8 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 566.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 296.2±32.9 °C
Index of Refraction: 1.640
Molar Refractivity: 103.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 76.38
ACD/KOC (pH 5.5): 775.28
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 76.38
ACD/KOC (pH 7.4): 775.28
Polar Surface Area: 100 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 49.7±7.0 dyne/cm
Molar Volume: 286.3±7.0 cm3

Click to predict properties on the Chemicalize site


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