ChemSpider 2D Image | (2S,3R)-2-Methyl-3-sulfanyl-1-pentanol | C6H14OS

(2S,3R)-2-Methyl-3-sulfanyl-1-pentanol

  • Molecular FormulaC6H14OS
  • Average mass134.240 Da
  • Monoisotopic mass134.076538 Da
  • ChemSpider ID34987478

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-2-Methyl-3-sulfanyl-1-pentanol [German] [ACD/IUPAC Name]
(2S,3R)-2-Methyl-3-sulfanyl-1-pentanol [ACD/IUPAC Name]
(2S,3R)-2-Méthyl-3-sulfanyl-1-pentanol [French] [ACD/IUPAC Name]
1-Pentanol, 3-mercapto-2-methyl-, (2S,3R)- [ACD/Index Name]
227456-27-1 [RN]
227456-30-6 [RN]
3-Mercapto-2-methylpentan-1-ol [ACD/IUPAC Name]
UNII-7XRY329G5S

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

Density: 1.0±0.1 g/cm3
Boiling Point: 205.0±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.9 mmHg at 25°C
Enthalpy of Vaporization: 51.3±6.0 kJ/mol
Flash Point: 77.8±22.6 °C
Index of Refraction: 1.472
Molar Refractivity: 39.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.46
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 8.39
ACD/KOC (pH 5.5): 159.49
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 8.38
ACD/KOC (pH 7.4): 159.38
Polar Surface Area: 59 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 32.6±3.0 dyne/cm
Molar Volume: 139.9±3.0 cm3

Click to predict properties on the Chemicalize site


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