ChemSpider 2D Image | (2S)-4-Methyl-4-sulfanyl-2-pentanol | C6H14OS

(2S)-4-Methyl-4-sulfanyl-2-pentanol

  • Molecular FormulaC6H14OS
  • Average mass134.240 Da
  • Monoisotopic mass134.076538 Da
  • ChemSpider ID34994215

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-4-Methyl-4-sulfanyl-2-pentanol [German] [ACD/IUPAC Name]
(2S)-4-Methyl-4-sulfanyl-2-pentanol [ACD/IUPAC Name]
(2S)-4-Méthyl-4-sulfanyl-2-pentanol [French] [ACD/IUPAC Name]
2-Pentanol, 4-mercapto-4-methyl-, (2S)- [ACD/Index Name]
255391-65-2 [RN]
31539-84-1 [RN]
4-MERCAPTO-4-METHYL-2-PENTANOL, (±)-
UNII-TG884YY7A6

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

Density: 1.0±0.1 g/cm3
Boiling Point: 197.6±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.8 mmHg at 25°C
Enthalpy of Vaporization: 50.5±6.0 kJ/mol
Flash Point: 73.3±22.6 °C
Index of Refraction: 1.474
Molar Refractivity: 39.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.28
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.61
ACD/KOC (pH 5.5): 175.79
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 9.61
ACD/KOC (pH 7.4): 175.76
Polar Surface Area: 59 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 32.0±3.0 dyne/cm
Molar Volume: 139.6±3.0 cm3

Click to predict properties on the Chemicalize site


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