ChemSpider 2D Image | S-Methyl Thiocysteine Group | C4H9NO2S2

S-Methyl Thiocysteine Group

  • Molecular FormulaC4H9NO2S2
  • Average mass167.250 Da
  • Monoisotopic mass167.007462 Da
  • ChemSpider ID26329710

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-(Methyldisulfanyl)-D-alanin [German] [ACD/IUPAC Name]
3-(Methyldisulfanyl)-D-alanine [ACD/IUPAC Name]
3-(Méthyldisulfanyl)-D-alanine [French] [ACD/IUPAC Name]
D-Alanine, 3-(methyldithio)- [ACD/Index Name]
S-Methyl Thiocysteine Group
(2S)-2-amino-3-(methyldisulfanyl)propanoic acid
1932169-20-4 [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: 309.6±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 60.5±6.0 kJ/mol
Flash Point: 141.1±26.5 °C
Index of Refraction: 1.603
Molar Refractivity: 41.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): -1.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 114 Å2
Polarizability: 16.5±0.5 10-24cm3
Surface Tension: 62.6±3.0 dyne/cm
Molar Volume: 121.2±3.0 cm3

Click to predict properties on the Chemicalize site


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