ChemSpider 2D Image | (2E)-4-[(1,1-Dioxidotetrahydro-3-thiophenyl)(2-methoxyethyl)amino]-4-oxo-2-butenoic acid | C11H17NO6S

(2E)-4-[(1,1-Dioxidotetrahydro-3-thiophenyl)(2-methoxyethyl)amino]-4-oxo-2-butenoic acid

  • Molecular FormulaC11H17NO6S
  • Average mass291.321 Da
  • Monoisotopic mass291.077667 Da
  • ChemSpider ID33300513

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-4-[(1,1-Dioxidotetrahydro-3-thiophenyl)(2-methoxyethyl)amino]-4-oxo-2-butenoic acid [ACD/IUPAC Name]
(2E)-4-[(1,1-Dioxidotetrahydro-3-thiophenyl)(2-methoxyethyl)amino]-4-oxo-2-butensäure [German] [ACD/IUPAC Name]
2-Butenoic acid, 4-[(2-methoxyethyl)(tetrahydro-1,1-dioxido-3-thienyl)amino]-4-oxo-, (2E)- [ACD/Index Name]
Acide (2E)-4-[(1,1-dioxydotétrahydro-3-thiophényl)(2-méthoxyéthyl)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: 1.4±0.1 g/cm3
Boiling Point: 599.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 97.4±6.0 kJ/mol
Flash Point: 316.3±30.1 °C
Index of Refraction: 1.552
Molar Refractivity: 67.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.98
ACD/LogD (pH 5.5): -3.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 209.7±5.0 cm3

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