ChemSpider 2D Image | 2-Sulfanyl-L-alanine | C3H7NO2S

2-Sulfanyl-L-alanine

  • Molecular FormulaC3H7NO2S
  • Average mass121.158 Da
  • Monoisotopic mass121.019745 Da
  • ChemSpider ID24194123

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Sulfanyl-L-alanin [German] [ACD/IUPAC Name]
2-Sulfanyl-L-alanine [ACD/IUPAC Name]
2-Sulfanyl-L-alanine [French] [ACD/IUPAC Name]
L-Alanine, 2-mercapto- [ACD/Index Name]
(2R)-2-AMINO-2-SULFANYLPROPANOIC ACID
1089325-71-2 [RN]
72087-33-3 [RN]
Alanine, 2-mercapto- (9CI)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 254.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 54.1±6.0 kJ/mol
Flash Point: 107.6±25.9 °C
Index of Refraction: 1.552
Molar Refractivity: 28.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.56
ACD/LogD (pH 5.5): -2.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 11.5±0.5 10-24cm3
Surface Tension: 57.7±3.0 dyne/cm
Molar Volume: 90.5±3.0 cm3

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