ChemSpider 2D Image | 4-Sulfanyl-L-proline | C5H9NO2S

4-Sulfanyl-L-proline

  • Molecular FormulaC5H9NO2S
  • Average mass147.195 Da
  • Monoisotopic mass147.035400 Da
  • ChemSpider ID24191337

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

4-Sulfanyl-L-prolin [German] [ACD/IUPAC Name]
4-Sulfanyl-L-proline [ACD/IUPAC Name]
4-Sulfanyl-L-proline [French] [ACD/IUPAC Name]
L-Proline, 4-mercapto- [ACD/Index Name]
(2S)-4-mercaptopyrrolidine-2-carboxylic acid
(2S)-4-SULFANYLPYRROLIDINE-2-CARBOXYLIC ACID
55309-60-9 [RN]
L-Proline, 4-mercapto- (9CI)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 317.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 61.5±6.0 kJ/mol
Flash Point: 146.1±27.9 °C
Index of Refraction: 1.568
Molar Refractivity: 36.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.51
ACD/LogD (pH 5.5): -2.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 88 Å2
Polarizability: 14.4±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 110.9±5.0 cm3

Click to predict properties on the Chemicalize site


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