ChemSpider 2D Image | Methyl N-(sulfanylcarbonothioyl)glycinate | C4H7NO2S2

Methyl N-(sulfanylcarbonothioyl)glycinate

  • Molecular FormulaC4H7NO2S2
  • Average mass165.234 Da
  • Monoisotopic mass164.991821 Da
  • ChemSpider ID24188588

More details:

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

Glycine, N-(mercaptothioxomethyl)-, methyl ester [ACD/Index Name]
Methyl N-(sulfanylcarbonothioyl)glycinate [ACD/IUPAC Name]
Methyl-N-(sulfanylcarbonothioyl)glycinat [German] [ACD/IUPAC Name]
N-(Sulfanylcarbonothioyl)glycinate de méthyle [French] [ACD/IUPAC Name]
138165-82-9 [RN]
Glycine, N-(dithiocarboxy)-, 1-methyl ester (9CI)
METHYL 2-{[SULFANYL(CARBONOTHIOYL)]AMINO}ACETATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 223.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.0±3.0 kJ/mol
Flash Point: 89.1±27.9 °C
Index of Refraction: 1.567
Molar Refractivity: 41.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): -3.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 16.3±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 125.9±3.0 cm3

Click to predict properties on the Chemicalize site


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