ChemSpider 2D Image | N-[(2Z)-3-Allyl-5-nitro-1,3-thiazol-2(3H)-ylidene]-2,2-dimethylpropanamide | C11H15N3O3S

N-[(2Z)-3-Allyl-5-nitro-1,3-thiazol-2(3H)-ylidene]-2,2-dimethylpropanamide

  • Molecular FormulaC11H15N3O3S
  • Average mass269.320 Da
  • Monoisotopic mass269.083405 Da
  • ChemSpider ID24690254

  • Double-bond stereo - Double-bond stereo

More details:

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

N-[(2Z)-3-Allyl-5-nitro-1,3-thiazol-2(3H)-yliden]-2,2-dimethylpropanamid [German] [ACD/IUPAC Name]
N-[(2Z)-3-Allyl-5-nitro-1,3-thiazol-2(3H)-ylidene]-2,2-dimethylpropanamide [ACD/IUPAC Name]
N-[(2Z)-3-Allyl-5-nitro-1,3-thiazol-2(3H)-ylidène]-2,2-diméthylpropanamide [French] [ACD/IUPAC Name]
Propanamide, 2,2-dimethyl-N-[(2Z)-5-nitro-3-(2-propen-1-yl)-2(3H)-thiazolylidene]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL455856/
PD-068235

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

Density: 1.2±0.1 g/cm3
Boiling Point: 357.5±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.3±3.0 kJ/mol
Flash Point: 170.0±30.7 °C
Index of Refraction: 1.580
Molar Refractivity: 71.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 18.62
ACD/KOC (pH 5.5): 282.23
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.62
ACD/KOC (pH 7.4): 282.23
Polar Surface Area: 104 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 46.5±7.0 dyne/cm
Molar Volume: 215.8±7.0 cm3

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