ChemSpider 2D Image | S-Acetyl-Cysteine | C5H9NO3S

S-Acetyl-Cysteine

  • Molecular FormulaC5H9NO3S
  • Average mass163.195 Da
  • Monoisotopic mass163.030319 Da
  • ChemSpider ID26329635
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

D-Cysteine, S-acetyl- [ACD/Index Name]
S-Acetyl-Cysteine
S-Acetyl-D-cystein [German] [ACD/IUPAC Name]
S-Acetyl-D-cysteine [ACD/IUPAC Name]
S-Acétyl-D-cystéine [French] [ACD/IUPAC Name]
(2S)-3-(acetylsulfanyl)-2-aminopropanoic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 297.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 59.1±6.0 kJ/mol
Flash Point: 133.9±25.9 °C
Index of Refraction: 1.547
Molar Refractivity: 38.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.45
ACD/LogD (pH 5.5): -2.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 106 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 59.1±3.0 dyne/cm
Molar Volume: 120.8±3.0 cm3

Click to predict properties on the Chemicalize site






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