ChemSpider 2D Image | N-[(Ethylsulfonyl)carbamothioyl]-beta-alanine | C6H12N2O4S2

N-[(Ethylsulfonyl)carbamothioyl]-β-alanine

  • Molecular FormulaC6H12N2O4S2
  • Average mass240.301 Da
  • Monoisotopic mass240.023849 Da
  • ChemSpider ID66446984

More details:

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

N-[(Ethylsulfonyl)carbamothioyl]-β-alanin [German] [ACD/IUPAC Name]
N-[(Ethylsulfonyl)carbamothioyl]-β-alanine [ACD/IUPAC Name]
N-[(Éthylsulfonyl)carbamothioyl]-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[[(ethylsulfonyl)amino]thioxomethyl]- [ACD/Index 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: 423.2±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 74.3±6.0 kJ/mol
Flash Point: 209.7±29.3 °C
Index of Refraction: 1.574
Molar Refractivity: 54.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.57
ACD/LogD (pH 5.5): -3.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 136 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 69.2±3.0 dyne/cm
Molar Volume: 165.9±3.0 cm3

Click to predict properties on the Chemicalize site


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