ChemSpider 2D Image | N-[(1,1-Dioxidotetrahydro-3-thiophenyl)carbamoyl]-L-alanine | C8H14N2O5S

N-[(1,1-Dioxidotetrahydro-3-thiophenyl)carbamoyl]-L-alanine

  • Molecular FormulaC8H14N2O5S
  • Average mass250.272 Da
  • Monoisotopic mass250.062347 Da
  • ChemSpider ID21791194

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

L-Alanine, N-[[(tetrahydro-1,1-dioxido-3-thienyl)amino]carbonyl]- [ACD/Index Name]
N-[(1,1-Dioxidotetrahydro-3-thiophenyl)carbamoyl]-L-alanin [German] [ACD/IUPAC Name]
N-[(1,1-Dioxidotetrahydro-3-thiophenyl)carbamoyl]-L-alanine [ACD/IUPAC Name]
N-[(1,1-Dioxydotétrahydro-3-thiophényl)carbamoyl]-L-alanine [French] [ACD/IUPAC Name]
N-(((1,1-dioxidotetrahydrothien-3-yl)amino)carbonyl)-L-alanine
N-{[(1,1-dioxidotetrahydro-3-thienyl)amino]carbonyl}-L-alanine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 651.5±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: 347.8±31.5 °C
Index of Refraction: 1.556
Molar Refractivity: 54.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -2.14
ACD/LogD (pH 5.5): -3.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 62.7±5.0 dyne/cm
Molar Volume: 170.7±5.0 cm3

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