ChemSpider 2D Image | N-Acetyl-S-pentyl-L-cysteine | C10H19NO3S

N-Acetyl-S-pentyl-L-cysteine

  • Molecular FormulaC10H19NO3S
  • Average mass233.328 Da
  • Monoisotopic mass233.108566 Da
  • ChemSpider ID55817787
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

L-Cysteine, N-acetyl-S-pentyl- [ACD/Index Name]
N-Acetyl-S-pentyl-L-cystein [German] [ACD/IUPAC Name]
N-Acetyl-S-pentyl-L-cysteine [ACD/IUPAC Name]
N-Acétyl-S-pentyl-L-cystéine [French] [ACD/IUPAC Name]
35985-42-3 [RN]
Pentylmercapturic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 449.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 77.6±6.0 kJ/mol
Flash Point: 225.4±27.3 °C
Index of Refraction: 1.502
Molar Refractivity: 61.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): -0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 208.5±3.0 cm3

Click to predict properties on the Chemicalize site






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