ChemSpider 2D Image | (2R)-3-Methyl-2-sulfanyl-1-butanol | C5H12OS

(2R)-3-Methyl-2-sulfanyl-1-butanol

  • Molecular FormulaC5H12OS
  • Average mass120.213 Da
  • Monoisotopic mass120.060883 Da
  • ChemSpider ID61610116

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-3-Methyl-2-sulfanyl-1-butanol [German] [ACD/IUPAC Name]
(2R)-3-Methyl-2-sulfanyl-1-butanol [ACD/IUPAC Name]
(2R)-3-Méthyl-2-sulfanyl-1-butanol [French] [ACD/IUPAC Name]
1-Butanol, 2-mercapto-3-methyl-, (2R)- [ACD/Index Name]
126424-40-6 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 178.0±23.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.7 mmHg at 25°C
Enthalpy of Vaporization: 48.2±6.0 kJ/mol
Flash Point: 61.4±22.6 °C
Index of Refraction: 1.472
Molar Refractivity: 34.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.00
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 5.02
ACD/KOC (pH 5.5): 110.50
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 5.01
ACD/KOC (pH 7.4): 110.30
Polar Surface Area: 59 Å2
Polarizability: 13.7±0.5 10-24cm3
Surface Tension: 32.4±3.0 dyne/cm
Molar Volume: 123.4±3.0 cm3

Click to predict properties on the Chemicalize site


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