ChemSpider 2D Image | 4-{[(1,1-Dioxidotetrahydro-3-thiophenyl)carbonyl]amino}butanoic acid | C9H15NO5S

4-{[(1,1-Dioxidotetrahydro-3-thiophenyl)carbonyl]amino}butanoic acid

  • Molecular FormulaC9H15NO5S
  • Average mass249.284 Da
  • Monoisotopic mass249.067093 Da
  • ChemSpider ID35522811

More details:

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

4-{[(1,1-Dioxidotetrahydro-3-thiophenyl)carbonyl]amino}butanoic acid [ACD/IUPAC Name]
4-{[(1,1-Dioxidotetrahydro-3-thiophenyl)carbonyl]amino}butansäure [German] [ACD/IUPAC Name]
Acide 4-{[(1,1-dioxydotétrahydro-3-thiophényl)carbonyl]amino}butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[(tetrahydro-1,1-dioxido-3-thienyl)carbonyl]amino]- [ACD/Index Name]
4-{[(1,1-dioxidotetrahydrothiophen-3-yl)carbonyl]amino}butanoic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 651.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 104.7±6.0 kJ/mol
Flash Point: 347.5±31.5 °C
Index of Refraction: 1.535
Molar Refractivity: 55.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -2.56
ACD/LogD (pH 5.5): -2.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 179.5±3.0 cm3

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