ChemSpider 2D Image | (3S)-3-Sulfanylhexanal | C6H12OS

(3S)-3-Sulfanylhexanal

  • Molecular FormulaC6H12OS
  • Average mass132.224 Da
  • Monoisotopic mass132.060883 Da
  • ChemSpider ID34987489
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3S)-3-Sulfanylhexanal [German] [ACD/IUPAC Name]
(3S)-3-Sulfanylhexanal [ACD/IUPAC Name]
(3S)-3-Sulfanylhexanal [French] [ACD/IUPAC Name]
HEXANAL, 3-MERCAPTO-, (3S)- [ACD/Index Name]
3-Mercaptohexanal
51755-72-7 [RN]
577969-22-3 [RN]
UNII-7YS9XL4686

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

Density: 0.9±0.1 g/cm3
Boiling Point: 185.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.7±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.2±3.0 kJ/mol
Flash Point: 66.2±22.6 °C
Index of Refraction: 1.456
Molar Refractivity: 37.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 13.97
ACD/KOC (pH 5.5): 229.77
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 13.93
ACD/KOC (pH 7.4): 229.15
Polar Surface Area: 56 Å2
Polarizability: 15.0±0.5 10-24cm3
Surface Tension: 31.1±3.0 dyne/cm
Molar Volume: 139.3±3.0 cm3

Click to predict properties on the Chemicalize site






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