ChemSpider 2D Image | Ethyl (2Z)-4-methyl-2-[(N-nitrocarbamimidoyl)imino]-2,5-dihydro-1,3-thiazole-5-carboxylate | C8H11N5O4S

Ethyl (2Z)-4-methyl-2-[(N-nitrocarbamimidoyl)imino]-2,5-dihydro-1,3-thiazole-5-carboxylate

  • Molecular FormulaC8H11N5O4S
  • Average mass273.269 Da
  • Monoisotopic mass273.053162 Da
  • ChemSpider ID30797441

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-4-Méthyl-2-[(N-nitrocarbamimidoyl)imino]-2,5-dihydro-1,3-thiazole-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 2,5-dihydro-2-[[imino(nitroamino)methyl]imino]-4-methyl-, ethyl ester, (2Z)- [ACD/Index Name]
Ethyl (2Z)-4-methyl-2-[(N-nitrocarbamimidoyl)imino]-2,5-dihydro-1,3-thiazole-5-carboxylate [ACD/IUPAC Name]
Ethyl-(2Z)-4-methyl-2-[(N-nitrocarbamimidoyl)imino]-2,5-dihydro-1,3-thiazol-5-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 397.6±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.8±3.0 kJ/mol
Flash Point: 194.3±30.7 °C
Index of Refraction: 1.689
Molar Refractivity: 63.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.30
ACD/LogD (pH 5.5): -0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.58
ACD/LogD (pH 7.4): -1.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 70.1±7.0 dyne/cm
Molar Volume: 165.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement