ChemSpider 2D Image | (2S)-4-(Methylsulfanyl)-1,2-butanediamine | C5H14N2S

(2S)-4-(Methylsulfanyl)-1,2-butanediamine

  • Molecular FormulaC5H14N2S
  • Average mass134.243 Da
  • Monoisotopic mass134.087769 Da
  • ChemSpider ID32981975

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-4-(Methylsulfanyl)-1,2-butandiamin [German] [ACD/IUPAC Name]
(2S)-4-(Methylsulfanyl)-1,2-butanediamine [ACD/IUPAC Name]
(2S)-4-(Méthylsulfanyl)-1,2-butanediamine [French] [ACD/IUPAC Name]
1,2-Butanediamine, 4-(methylthio)-, (2S)- [ACD/Index Name]
(2S)-4-(methylsulfanyl)butane-1,2-diamine
68013-51-4 [RN]
MFCD19206547

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

Density: 1.0±0.1 g/cm3
Boiling Point: 251.0±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.8±3.0 kJ/mol
Flash Point: 105.6±24.6 °C
Index of Refraction: 1.518
Molar Refractivity: 40.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.84
ACD/LogD (pH 5.5): -4.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 77 Å2
Polarizability: 16.0±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 132.8±3.0 cm3

Click to predict properties on the Chemicalize site


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