ChemSpider 2D Image | Methyl 2-(carbamimidoylsulfanyl)-3-oxobutanoate | C6H10N2O3S

Methyl 2-(carbamimidoylsulfanyl)-3-oxobutanoate

  • Molecular FormulaC6H10N2O3S
  • Average mass190.220 Da
  • Monoisotopic mass190.041214 Da
  • ChemSpider ID23080784

More details:

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

2-(Carbamimidoylsulfanyl)-3-oxobutanoate de méthyle [French] [ACD/IUPAC Name]
Butanoic acid, 2-[(aminoiminomethyl)thio]-3-oxo-, methyl ester [ACD/Index Name]
Methyl 2-(carbamimidoylsulfanyl)-3-oxobutanoate [ACD/IUPAC Name]
Methyl-2-(carbamimidoylsulfanyl)-3-oxobutanoat [German] [ACD/IUPAC Name]
1171965-17-5 [RN]
MFCD12966025
MFCD15147374 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 275.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.4±3.0 kJ/mol
Flash Point: 120.3±30.1 °C
Index of Refraction: 1.566
Molar Refractivity: 44.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.87
ACD/LogD (pH 5.5): -1.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 119 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 51.3±7.0 dyne/cm
Molar Volume: 136.5±7.0 cm3

Click to predict properties on the Chemicalize site


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