Found 3 results

Search term: HTXZJLGNYGRBSL (Found by InChIKey (skeleton match))
ChemSpider 2D Image | trans-4-(Methylsulfanyl)cyclohexanol | C7H14OS

trans-4-(Methylsulfanyl)cyclohexanol

  • Molecular FormulaC7H14OS
  • Average mass146.251 Da
  • Monoisotopic mass146.076538 Da
  • ChemSpider ID24540440

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Cyclohexanol, 4-(methylthio)-, trans- [ACD/Index Name]
trans-4-(Methylsulfanyl)cyclohexanol [ACD/IUPAC Name]
trans-4-(Methylsulfanyl)cyclohexanol [German] [ACD/IUPAC Name]
trans-4-(Méthylsulfanyl)cyclohexanol [French] [ACD/IUPAC Name]
(1r,4r)-4-(methylthio)cyclohexanol
1375066-01-5 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 243.2±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 55.8±6.0 kJ/mol
Flash Point: 118.9±24.1 °C
Index of Refraction: 1.517
Molar Refractivity: 41.9±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 11.57
ACD/KOC (pH 5.5): 200.83
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 11.57
ACD/KOC (pH 7.4): 200.83
Polar Surface Area: 46 Å2
Polarizability: 16.6±0.5 10-24cm3
Surface Tension: 38.9±5.0 dyne/cm
Molar Volume: 138.5±5.0 cm3

Click to predict properties on the Chemicalize site


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