ChemSpider 2D Image | 4-{[(Methylsulfonyl)carbamothioyl]amino}butanoic acid | C6H12N2O4S2

4-{[(Methylsulfonyl)carbamothioyl]amino}butanoic acid

  • Molecular FormulaC6H12N2O4S2
  • Average mass240.301 Da
  • Monoisotopic mass240.023849 Da
  • ChemSpider ID66443294

More details:

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

4-{[(Methylsulfonyl)carbamothioyl]amino}butanoic acid [ACD/IUPAC Name]
4-{[(Methylsulfonyl)carbamothioyl]amino}butansäure [German] [ACD/IUPAC Name]
Acide 4-{[(méthylsulfonyl)carbamothioyl]amino}butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[[(methylsulfonyl)amino]thioxomethyl]amino]- [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: 436.0±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±6.0 kJ/mol
Flash Point: 217.5±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: -0.89
ACD/LogD (pH 5.5): -3.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.01
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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