ChemSpider 2D Image | (2S,3S)-2-Methyl-3-sulfanylpentanal | C6H12OS

(2S,3S)-2-Methyl-3-sulfanylpentanal

  • Molecular FormulaC6H12OS
  • Average mass132.224 Da
  • Monoisotopic mass132.060883 Da
  • ChemSpider ID34983541

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-2-Methyl-3-sulfanylpentanal [German] [ACD/IUPAC Name]
(2S,3S)-2-Methyl-3-sulfanylpentanal [ACD/IUPAC Name]
(2S,3S)-2-Méthyl-3-sulfanylpentanal [French] [ACD/IUPAC Name]
Pentanal, 3-mercapto-2-methyl-, (2S,3S)- [ACD/Index Name]
227456-28-2 [RN]
3-Mercapto-2-methylpentanal [ACD/IUPAC Name]
UNII-04LG18GGDN

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

Density: 0.9±0.1 g/cm3
Boiling Point: 178.6±23.0 °C at 760 mmHg
Vapour Pressure: 1.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.5±3.0 kJ/mol
Flash Point: 61.8±22.6 °C
Index of Refraction: 1.454
Molar Refractivity: 37.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 12.17
ACD/KOC (pH 5.5): 208.19
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 12.15
ACD/KOC (pH 7.4): 207.85
Polar Surface Area: 56 Å2
Polarizability: 15.0±0.5 10-24cm3
Surface Tension: 29.8±3.0 dyne/cm
Molar Volume: 139.7±3.0 cm3

Click to predict properties on the Chemicalize site


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