ChemSpider 2D Image | MFCD04118286 | C6H6D5NO2S

MFCD04118286

  • Molecular FormulaC6H6D5NO2S
  • Average mass166.253 Da
  • Monoisotopic mass166.082428 Da
  • ChemSpider ID49073020
  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

1217444-21-7 [RN]
L-Cysteine, S-2-propen-1-yl-d5- [ACD/Index Name]
MFCD04118286
S-(2H5)-2-Propen-1-yl-L-cystein [German] [ACD/IUPAC Name]
S-(2H5)-2-Propen-1-yl-L-cysteine [ACD/IUPAC Name]
S-(2H5)-2-Propén-1-yl-L-cystéine [French] [ACD/IUPAC Name]
S-ALLYL-D5-L-CYSTEINE
S-(2H5)Prop-2-en-1-yl-L-cysteine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 300.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 59.4±6.0 kJ/mol
Flash Point: 135.4±27.9 °C
Index of Refraction: 1.543
Molar Refractivity: 42.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.31
ACD/LogD (pH 5.5): -1.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability: 16.9±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 135.3±3.0 cm3

Click to predict properties on the Chemicalize site






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