ChemSpider 2D Image | S-Butyryl-L-cysteine | C7H13NO3S

S-Butyryl-L-cysteine

  • Molecular FormulaC7H13NO3S
  • Average mass191.248 Da
  • Monoisotopic mass191.061615 Da
  • ChemSpider ID16743928

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Cysteine, S-(1-oxobutyl)- [ACD/Index Name]
S-Butyryl-L-cystein [German] [ACD/IUPAC Name]
S-Butyryl-L-cysteine [ACD/IUPAC Name]
S-Butyryl-L-cystéine [French] [ACD/IUPAC Name]
S-Butyryl-Cystein

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

Density: 1.2±0.1 g/cm3
Boiling Point: 322.0±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 62.0±6.0 kJ/mol
Flash Point: 148.5±26.5 °C
Index of Refraction: 1.531
Molar Refractivity: 47.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): -1.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 106 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 153.9±3.0 cm3

Click to predict properties on the Chemicalize site


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