ChemSpider 2D Image | (3S)-3-(Methylsulfanyl)hexanal | C7H14OS

(3S)-3-(Methylsulfanyl)hexanal

  • Molecular FormulaC7H14OS
  • Average mass146.251 Da
  • Monoisotopic mass146.076538 Da
  • ChemSpider ID34993322

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-(Methylsulfanyl)hexanal [German] [ACD/IUPAC Name]
(3S)-3-(Methylsulfanyl)hexanal [ACD/IUPAC Name]
(3S)-3-(Méthylsulfanyl)hexanal [French] [ACD/IUPAC Name]
Hexanal, 3-(methylthio)-, (3S)- [ACD/Index Name]
253-929-0 [EINECS]
38433-74-8 [RN]
3-Methylthiohexanal
UNII-1U9V3213BJ

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

Density: 0.9±0.1 g/cm3
Boiling Point: 206.3±23.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.3±3.0 kJ/mol
Flash Point: 76.9±8.3 °C
Index of Refraction: 1.460
Molar Refractivity: 42.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 21.53
ACD/KOC (pH 5.5): 313.16
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 21.53
ACD/KOC (pH 7.4): 313.16
Polar Surface Area: 42 Å2
Polarizability: 16.9±0.5 10-24cm3
Surface Tension: 31.0±3.0 dyne/cm
Molar Volume: 155.7±3.0 cm3

Click to predict properties on the Chemicalize site


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