ChemSpider 2D Image | (2Z)-4-{[(3S)-1,1-Dioxidotetrahydro-3-thiophenyl]amino}-4-oxo-2-butenoic acid | C8H11NO5S

(2Z)-4-{[(3S)-1,1-Dioxidotetrahydro-3-thiophenyl]amino}-4-oxo-2-butenoic acid

  • Molecular FormulaC8H11NO5S
  • Average mass233.242 Da
  • Monoisotopic mass233.035797 Da
  • ChemSpider ID97470952

  • 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)-4-{[(3S)-1,1-Dioxidotetrahydro-3-thiophenyl]amino}-4-oxo-2-butenoic acid [ACD/IUPAC Name]
(2Z)-4-{[(3S)-1,1-Dioxidotetrahydro-3-thiophenyl]amino}-4-oxo-2-butensäure [German] [ACD/IUPAC Name]
2-Butenoic acid, 4-oxo-4-[[(3S)-tetrahydro-1,1-dioxido-3-thienyl]amino]-, (2Z)- [ACD/Index Name]
Acide (2Z)-4-{[(3S)-1,1-dioxydotétrahydro-3-thiophényl]amino}-4-oxo-2-buténoïque [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 636.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 102.6±6.0 kJ/mol
Flash Point: 338.8±31.5 °C
Index of Refraction: 1.571
Molar Refractivity: 51.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -2.08
ACD/LogD (pH 5.5): -4.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 64.8±5.0 dyne/cm
Molar Volume: 155.7±5.0 cm3

Click to predict properties on the Chemicalize site


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