ChemSpider 2D Image | S-(4-Bromobenzyl)-D-cysteine | C10H12BrNO2S

S-(4-Bromobenzyl)-D-cysteine

  • Molecular FormulaC10H12BrNO2S
  • Average mass290.177 Da
  • Monoisotopic mass288.977203 Da
  • ChemSpider ID56052447

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Cysteine, S-[(4-bromophenyl)methyl]- [ACD/Index Name]
S-(4-Brombenzyl)-D-cystein [German] [ACD/IUPAC Name]
S-(4-Bromobenzyl)-D-cysteine [ACD/IUPAC Name]
S-(4-Bromobenzyl)-D-cystéine [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 434.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 216.3±28.7 °C
Index of Refraction: 1.634
Molar Refractivity: 65.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): -0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 60.2±3.0 dyne/cm
Molar Volume: 184.1±3.0 cm3

Click to predict properties on the Chemicalize site


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