ChemSpider 2D Image | (2Z)-N-[(3S)-2-Oxotetrahydro-3-thiophenyl]-2-butenediamide | C8H10N2O3S

(2Z)-N-[(3S)-2-Oxotetrahydro-3-thiophenyl]-2-butenediamide

  • Molecular FormulaC8H10N2O3S
  • Average mass214.242 Da
  • Monoisotopic mass214.041214 Da
  • ChemSpider ID62809996

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2Z)-N-[(3S)-2-Oxotetrahydro-3-thiophenyl]-2-butendiamid [German] [ACD/IUPAC Name]
(2Z)-N-[(3S)-2-Oxotetrahydro-3-thiophenyl]-2-butenediamide [ACD/IUPAC Name]
(2Z)-N-[(3S)-2-Oxotétrahydro-3-thiophényl]-2-butènediamide [French] [ACD/IUPAC Name]
2-Butenediamide, N1-[(3S)-tetrahydro-2-oxo-3-thienyl]-, (2Z)- [ACD/Index Name]
86725-08-8 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 609.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 322.4±31.5 °C
Index of Refraction: 1.602
Molar Refractivity: 52.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.78
ACD/LogD (pH 5.5): -1.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.49
ACD/LogD (pH 7.4): -1.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.49
Polar Surface Area: 115 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 63.3±5.0 dyne/cm
Molar Volume: 153.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement