ChemSpider 2D Image | S-Acetonylcysteine | C6H11NO3S

S-Acetonylcysteine

  • Molecular FormulaC6H11NO3S
  • Average mass177.221 Da
  • Monoisotopic mass177.045959 Da
  • ChemSpider ID16743921

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Cysteine, S-(2-oxopropyl)- [ACD/Index Name]
S-(2-Oxopropyl)-L-cystein [German] [ACD/IUPAC Name]
S-(2-Oxopropyl)-L-cysteine [ACD/IUPAC Name]
S-(2-Oxopropyl)-L-cystéine [French] [ACD/IUPAC Name]
S-Acetonylcysteine
(2R)-2-amino-3-[(2-oxopropyl)sulfanyl]propanoic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 333.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 63.4±6.0 kJ/mol
Flash Point: 155.8±27.9 °C
Index of Refraction: 1.538
Molar Refractivity: 42.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.59
ACD/LogD (pH 5.5): -2.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 106 Å2
Polarizability: 17.0±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 137.3±3.0 cm3

Click to predict properties on the Chemicalize site


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