ChemSpider 2D Image | (2R)-2-Methyl-3-sulfanylpropanoic acid | C4H8O2S

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

  • Molecular FormulaC4H8O2S
  • Average mass120.170 Da
  • Monoisotopic mass120.024498 Da
  • ChemSpider ID18736350

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Methyl-3-sulfanylpropanoic acid [ACD/IUPAC Name]
(2R)-2-Methyl-3-sulfanylpropansäure [German] [ACD/IUPAC Name]
Acide (2R)-2-méthyl-3-sulfanylpropanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-mercapto-2-methyl-, (2R)- [ACD/Index Name]
(2S)-2-methyl-3-sulfanyl-propanoic acid
(2S)-2-Methyl-3-sulfanylpropanoic acid [ACD/IUPAC Name]
(2S)-3-mercapto-2-methylpropanoic acid
(2S)-3-mercapto-2-methyl-propionic acid
247-726-6 [EINECS]
26473-47-2 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 232.5±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 51.7±6.0 kJ/mol
Flash Point: 94.4±22.6 °C
Index of Refraction: 1.491
Molar Refractivity: 30.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.78
ACD/LogD (pH 5.5): -0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.73
ACD/LogD (pH 7.4): -2.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 11.9±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 103.6±3.0 cm3

Click to predict properties on the Chemicalize site


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