ChemSpider 2D Image | (2R)-2-Benzyl-3-sulfanylpropanoic acid | C10H12O2S

(2R)-2-Benzyl-3-sulfanylpropanoic acid

  • Molecular FormulaC10H12O2S
  • Average mass196.266 Da
  • Monoisotopic mass196.055801 Da
  • ChemSpider ID23179061

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Benzyl-3-sulfanylpropanoic acid [ACD/IUPAC Name]
(2R)-2-Benzyl-3-sulfanylpropansäure [German] [ACD/IUPAC Name]
Acide (2R)-2-benzyl-3-sulfanylpropanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-(mercaptomethyl)-, (αR)- [ACD/Index Name]
(R)-2-Mercaptomethyl-3-phenyl-propionic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 329.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.4±3.0 kJ/mol
Flash Point: 153.0±25.9 °C
Index of Refraction: 1.577
Molar Refractivity: 54.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 1.50
ACD/KOC (pH 5.5): 17.81
ACD/LogD (pH 7.4): -0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 164.3±3.0 cm3

Click to predict properties on the Chemicalize site


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