ChemSpider 2D Image | (3S)-3-Amino-4-(methylsulfanyl)-1-butanol | C5H13NOS

(3S)-3-Amino-4-(methylsulfanyl)-1-butanol

  • Molecular FormulaC5H13NOS
  • Average mass135.228 Da
  • Monoisotopic mass135.071777 Da
  • ChemSpider ID67966590

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Amino-4-(methylsulfanyl)-1-butanol [German] [ACD/IUPAC Name]
(3S)-3-Amino-4-(methylsulfanyl)-1-butanol [ACD/IUPAC Name]
(3S)-3-Amino-4-(méthylsulfanyl)-1-butanol [French] [ACD/IUPAC Name]
1-Butanol, 3-amino-4-(methylthio)-, (3S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 266.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 58.6±6.0 kJ/mol
Flash Point: 115.0±24.6 °C
Index of Refraction: 1.516
Molar Refractivity: 38.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.18
ACD/LogD (pH 5.5): -3.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 72 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 126.6±3.0 cm3

Click to predict properties on the Chemicalize site


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