ChemSpider 2D Image | (3S)-3-Sulfanyl-1-butanol | C4H10OS

(3S)-3-Sulfanyl-1-butanol

  • Molecular FormulaC4H10OS
  • Average mass106.187 Da
  • Monoisotopic mass106.045235 Da
  • ChemSpider ID67967142

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Sulfanyl-1-butanol [German] [ACD/IUPAC Name]
(3S)-3-Sulfanyl-1-butanol [ACD/IUPAC Name]
(3S)-3-Sulfanyl-1-butanol [French] [ACD/IUPAC Name]
1-Butanol, 3-mercapto-, (3S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 185.4±23.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.8 mmHg at 25°C
Enthalpy of Vaporization: 49.1±6.0 kJ/mol
Flash Point: 65.9±22.6 °C
Index of Refraction: 1.475
Molar Refractivity: 30.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.58
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.55
ACD/KOC (pH 5.5): 47.57
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.55
ACD/KOC (pH 7.4): 47.54
Polar Surface Area: 59 Å2
Polarizability: 11.9±0.5 10-24cm3
Surface Tension: 34.1±3.0 dyne/cm
Molar Volume: 106.5±3.0 cm3

Click to predict properties on the Chemicalize site


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