ChemSpider 2D Image | N-(Sulfanylcarbonothioyl)-D-alanine | C4H7NO2S2

N-(Sulfanylcarbonothioyl)-D-alanine

  • Molecular FormulaC4H7NO2S2
  • Average mass165.234 Da
  • Monoisotopic mass164.991821 Da
  • ChemSpider ID61470263

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Alanine, N-(mercaptothioxomethyl)- [ACD/Index Name]
N-(Sulfanylcarbonothioyl)-D-alanin [German] [ACD/IUPAC Name]
N-(Sulfanylcarbonothioyl)-D-alanine [ACD/IUPAC Name]
N-(Sulfanylcarbonothioyl)-D-alanine [French] [ACD/IUPAC Name]
1932077-74-1 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 291.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 58.4±6.0 kJ/mol
Flash Point: 129.9±27.9 °C
Index of Refraction: 1.613
Molar Refractivity: 40.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.77
ACD/LogD (pH 5.5): -4.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 67.7±3.0 dyne/cm
Molar Volume: 117.4±3.0 cm3

Click to predict properties on the Chemicalize site


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