ChemSpider 2D Image | 6-{[(1,1-Dioxidotetrahydro-3-thiophenyl)carbonyl]amino}hexanoic acid | C11H19NO5S

6-{[(1,1-Dioxidotetrahydro-3-thiophenyl)carbonyl]amino}hexanoic acid

  • Molecular FormulaC11H19NO5S
  • Average mass277.337 Da
  • Monoisotopic mass277.098389 Da
  • ChemSpider ID29379673

More details:

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

6-{[(1,1-Dioxidotetrahydro-3-thiophenyl)carbonyl]amino}hexanoic acid [ACD/IUPAC Name]
6-{[(1,1-Dioxidotetrahydro-3-thiophenyl)carbonyl]amino}hexansäure [German] [ACD/IUPAC Name]
Acide 6-{[(1,1-dioxydotétrahydro-3-thiophényl)carbonyl]amino}hexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 6-[[(tetrahydro-1,1-dioxido-3-thienyl)carbonyl]amino]- [ACD/Index Name]
6-[(1,1-dioxo-1??-thiolan-3-yl)formamido]hexanoic acid
6-{[(1,1-dioxidotetrahydrothiophen-3-yl)carbonyl]amino}hexanoic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 632.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 102.0±6.0 kJ/mol
Flash Point: 336.1±31.5 °C
Index of Refraction: 1.525
Molar Refractivity: 65.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -1.61
ACD/LogD (pH 5.5): -1.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.02
ACD/LogD (pH 7.4): -3.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 212.5±3.0 cm3

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