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

N-Methyl-N-[(methylsulfonyl)carbamothioyl]-β-alanine

  • Molecular FormulaC6H12N2O4S2
  • Average mass240.301 Da
  • Monoisotopic mass240.023849 Da
  • ChemSpider ID66443314

More details:

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

N-Methyl-N-[(methylsulfonyl)carbamothioyl]-β-alanin [German] [ACD/IUPAC Name]
N-Methyl-N-[(methylsulfonyl)carbamothioyl]-β-alanine [ACD/IUPAC Name]
N-Méthyl-N-[(méthylsulfonyl)carbamothioyl]-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-methyl-N-[[(methylsulfonyl)amino]thioxomethyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 408.2±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 72.4±6.0 kJ/mol
Flash Point: 200.7±29.3 °C
Index of Refraction: 1.583
Molar Refractivity: 54.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.14
ACD/LogD (pH 5.5): -3.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 70.5±3.0 dyne/cm
Molar Volume: 164.3±3.0 cm3

Click to predict properties on the Chemicalize site


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